REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1iz2_1_A DATA FIRST_RESID 24 DATA SEQUENCE NKITPNLAEF AFSLYRQLAH QSNSTNILFS PVSIAAAFAM LSLGAKGDTH DATA SEQUENCE DEILEGLNFN LTEIPEAQIH EGFQELLHTL NQPDSQLQLT TGNGLFLSEG DATA SEQUENCE LKLVDKFLED VKKLYHSEAF TVNFGDTEEA KKQINDYVEK GTQGKIVDLV DATA SEQUENCE KELDRDTVFA LVNYIFFKGK WERPFEVKDT EEEDFHVDQV TTVKVPMMKR DATA SEQUENCE LGMFNIQHCK KLSSWVLLMK YLGNATAIFF LPDEGKLQHL ENELTHDIIT DATA SEQUENCE KFLENEDRRS ASLHLPKLSI TGTYDLKSVL GQLGITKVFS NGADLSGVTE DATA SEQUENCE EAPLKLSKAV HKAVLTIDEK GTEAAGAMFL EAIPMSIPPE AKFNKPFVFL DATA SEQUENCE IIDQNTKAPL FMGRVVNPTQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 24 N HA 0.000 nan 4.740 nan 0.000 0.220 24 N C 0.000 175.499 175.510 -0.018 0.000 1.280 24 N CA 0.000 53.048 53.050 -0.003 0.000 0.885 24 N CB 0.000 38.494 38.487 0.012 0.000 1.341 25 K N 2.371 122.750 120.400 -0.034 0.000 2.312 25 K HA 0.666 4.986 4.320 -0.000 0.000 0.236 25 K C 1.333 177.896 176.600 -0.063 0.000 1.079 25 K CA -0.141 56.121 56.287 -0.041 0.000 0.900 25 K CB 0.917 33.398 32.500 -0.033 0.000 1.297 25 K HN 0.420 nan 8.250 nan 0.000 0.498 26 I N -2.783 117.773 120.570 -0.025 0.000 3.700 26 I HA -0.422 3.748 4.170 -0.000 0.000 0.171 26 I C 0.981 177.032 176.117 -0.110 0.000 0.373 26 I CA 2.347 63.656 61.300 0.014 0.000 1.250 26 I CB -2.121 35.839 38.000 -0.066 0.000 1.079 26 I HN 0.782 nan 8.210 nan 0.000 0.249 27 T N -0.762 113.730 114.554 -0.104 0.000 2.867 27 T HA 0.089 4.439 4.350 -0.000 0.000 0.268 27 T C -0.080 174.558 174.700 -0.104 0.000 1.057 27 T CA 1.301 63.351 62.100 -0.084 0.000 1.136 27 T CB -1.577 67.272 68.868 -0.031 0.000 0.874 27 T HN 0.578 nan 8.240 nan 0.000 0.466 28 P HA -0.028 nan 4.420 nan 0.000 0.219 28 P C 0.677 177.836 177.300 -0.236 0.000 1.150 28 P CA 1.115 64.046 63.100 -0.281 0.000 0.814 28 P CB -0.181 31.319 31.700 -0.335 0.000 0.787 29 N N 0.186 118.722 118.700 -0.273 0.000 2.171 29 N HA -0.048 4.692 4.740 -0.000 0.000 0.184 29 N C 2.033 177.355 175.510 -0.313 0.000 1.021 29 N CA 0.645 53.453 53.050 -0.404 0.000 0.854 29 N CB -1.174 36.794 38.487 -0.866 0.000 0.994 29 N HN 0.058 nan 8.380 nan 0.000 0.426 30 L N 0.426 121.505 121.223 -0.240 0.000 2.043 30 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 30 L C 2.266 179.090 176.870 -0.076 0.000 1.075 30 L CA 1.241 56.040 54.840 -0.068 0.000 0.752 30 L CB -0.410 41.632 42.059 -0.029 0.000 0.891 30 L HN 0.261 nan 8.230 nan 0.000 0.432 31 A N -0.648 122.075 122.820 -0.163 0.000 1.858 31 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 31 A C 2.107 179.352 177.584 -0.564 0.000 1.190 31 A CA 1.516 53.344 52.037 -0.347 0.000 0.617 31 A CB -0.459 18.477 19.000 -0.107 0.000 0.827 31 A HN 0.353 nan 8.150 nan 0.000 0.443 32 E N -0.849 119.202 120.200 -0.249 0.000 2.153 32 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 32 E C 1.669 178.202 176.600 -0.111 0.000 0.988 32 E CA 0.992 57.323 56.400 -0.115 0.000 0.811 32 E CB -0.491 29.193 29.700 -0.027 0.000 0.746 32 E HN 0.677 nan 8.360 nan 0.000 0.466 33 F N 1.545 121.355 119.950 -0.234 0.000 2.134 33 F HA -0.166 4.361 4.527 -0.000 0.000 0.299 33 F C 2.152 177.875 175.800 -0.128 0.000 1.097 33 F CA 1.333 59.233 58.000 -0.167 0.000 1.264 33 F CB -0.511 38.398 39.000 -0.152 0.000 1.001 33 F HN -0.019 nan 8.300 nan 0.000 0.479 34 A N 0.595 123.194 122.820 -0.368 0.000 1.851 34 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 34 A C 2.116 179.602 177.584 -0.164 0.000 1.195 34 A CA 2.088 53.922 52.037 -0.339 0.000 0.622 34 A CB -1.584 17.132 19.000 -0.474 0.000 0.831 34 A HN 0.399 nan 8.150 nan 0.000 0.444 35 F N 1.043 120.946 119.950 -0.078 0.000 2.134 35 F HA -0.124 4.403 4.527 -0.000 0.000 0.299 35 F C 2.829 178.583 175.800 -0.078 0.000 1.097 35 F CA 0.990 58.955 58.000 -0.058 0.000 1.264 35 F CB -1.271 37.672 39.000 -0.094 0.000 1.001 35 F HN 0.141 nan 8.300 nan 0.000 0.479 36 S N 0.614 116.316 115.700 0.003 0.000 2.353 36 S HA -0.204 4.266 4.470 -0.000 0.000 0.222 36 S C 2.071 176.523 174.600 -0.246 0.000 1.035 36 S CA 1.421 59.558 58.200 -0.105 0.000 1.025 36 S CB -0.852 62.278 63.200 -0.117 0.000 0.902 36 S HN 0.283 nan 8.310 nan 0.000 0.440 37 L N 0.609 121.561 121.223 -0.452 0.000 2.046 37 L HA -0.049 4.291 4.340 -0.000 0.000 0.208 37 L C 2.057 178.610 176.870 -0.528 0.000 1.077 37 L CA 1.696 56.163 54.840 -0.622 0.000 0.747 37 L CB -0.949 40.505 42.059 -1.008 0.000 0.896 37 L HN 0.357 nan 8.230 nan 0.000 0.432 38 Y N 0.498 120.603 120.300 -0.325 0.000 2.128 38 Y HA -0.286 4.264 4.550 -0.000 0.000 0.284 38 Y C 2.679 178.439 175.900 -0.233 0.000 1.154 38 Y CA 2.029 60.042 58.100 -0.144 0.000 1.149 38 Y CB -0.198 38.340 38.460 0.130 0.000 0.976 38 Y HN 0.143 nan 8.280 nan 0.000 0.505 39 R N -0.323 120.077 120.500 -0.167 0.000 2.105 39 R HA -0.205 4.135 4.340 -0.000 0.000 0.239 39 R C 2.237 178.125 176.300 -0.687 0.000 1.135 39 R CA 1.496 57.416 56.100 -0.300 0.000 0.967 39 R CB -0.313 29.910 30.300 -0.130 0.000 0.861 39 R HN 0.420 nan 8.270 nan 0.000 0.442 40 Q N 0.637 120.040 119.800 -0.660 0.000 2.084 40 Q HA -0.105 4.235 4.340 -0.000 0.000 0.202 40 Q C 2.259 177.843 176.000 -0.693 0.000 0.978 40 Q CA 1.404 56.732 55.803 -0.791 0.000 0.844 40 Q CB -0.149 28.312 28.738 -0.461 0.000 0.898 40 Q HN 0.410 nan 8.270 nan 0.000 0.426 41 L N -0.265 120.587 121.223 -0.618 0.000 2.156 41 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 41 L C 2.380 178.986 176.870 -0.440 0.000 1.095 41 L CA 0.823 55.359 54.840 -0.507 0.000 0.770 41 L CB -0.548 41.129 42.059 -0.637 0.000 0.914 41 L HN 0.074 nan 8.230 nan 0.000 0.439 42 A N 0.028 122.485 122.820 -0.605 0.000 1.969 42 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 42 A C 1.860 179.337 177.584 -0.177 0.000 1.169 42 A CA 1.326 53.090 52.037 -0.455 0.000 0.635 42 A CB -0.890 17.762 19.000 -0.580 0.000 0.810 42 A HN 0.710 nan 8.150 nan 0.000 0.445 43 H N -2.035 116.929 119.070 -0.177 0.000 2.610 43 H HA 0.386 4.942 4.556 -0.000 0.000 0.302 43 H C 0.818 176.093 175.328 -0.088 0.000 1.063 43 H CA 0.274 56.257 56.048 -0.108 0.000 1.159 43 H CB -0.013 29.695 29.762 -0.090 0.000 1.427 43 H HN 0.576 nan 8.280 nan 0.000 0.553 44 Q N 0.535 120.382 119.800 0.077 0.000 2.353 44 Q HA 0.168 4.508 4.340 -0.000 0.000 0.240 44 Q C -0.014 175.998 176.000 0.019 0.000 0.868 44 Q CA 0.033 55.866 55.803 0.050 0.000 0.944 44 Q CB 1.351 30.096 28.738 0.011 0.000 1.104 44 Q HN 0.289 nan 8.270 nan 0.000 0.531 45 S N 0.452 116.155 115.700 0.004 0.000 2.565 45 S HA 0.242 4.712 4.470 -0.000 0.000 0.274 45 S C -1.508 173.093 174.600 0.002 0.000 1.144 45 S CA -0.714 57.490 58.200 0.008 0.000 0.849 45 S CB 0.833 64.040 63.200 0.013 0.000 1.103 45 S HN 0.344 nan 8.310 nan 0.000 0.455 46 N N 1.196 119.907 118.700 0.017 0.000 2.241 46 N HA 0.232 4.972 4.740 -0.000 0.000 0.238 46 N C -0.230 175.302 175.510 0.036 0.000 1.244 46 N CA -0.338 52.729 53.050 0.028 0.000 0.880 46 N CB 0.716 39.227 38.487 0.040 0.000 1.179 46 N HN 0.225 nan 8.380 nan 0.000 0.513 47 S N -0.093 115.623 115.700 0.026 0.000 2.855 47 S HA 0.182 4.652 4.470 -0.000 0.000 0.249 47 S C -0.136 174.470 174.600 0.009 0.000 1.033 47 S CA -0.337 57.877 58.200 0.023 0.000 1.038 47 S CB 0.512 63.730 63.200 0.030 0.000 0.960 47 S HN 0.578 nan 8.310 nan 0.000 0.548 48 T N -0.064 114.497 114.554 0.012 0.000 2.893 48 T HA 0.542 4.892 4.350 -0.000 0.000 0.291 48 T C -0.687 174.028 174.700 0.024 0.000 1.028 48 T CA -0.956 61.154 62.100 0.015 0.000 0.995 48 T CB 1.055 69.944 68.868 0.036 0.000 1.051 48 T HN -0.094 nan 8.240 nan 0.000 0.470 49 N N 1.122 119.836 118.700 0.023 0.000 2.508 49 N HA 0.448 5.188 4.740 -0.000 0.000 0.264 49 N C -0.522 175.078 175.510 0.150 0.000 1.216 49 N CA -0.334 52.751 53.050 0.058 0.000 0.943 49 N CB 0.458 38.973 38.487 0.048 0.000 1.113 49 N HN 0.629 nan 8.380 nan 0.000 0.447 50 I N 1.194 121.884 120.570 0.200 0.000 2.569 50 I HA 0.444 4.614 4.170 -0.000 0.000 0.296 50 I C -0.890 175.443 176.117 0.360 0.000 1.028 50 I CA -0.932 60.551 61.300 0.304 0.000 1.082 50 I CB 1.959 40.096 38.000 0.229 0.000 1.264 50 I HN 0.176 nan 8.210 nan 0.000 0.429 51 L N 7.986 129.525 121.223 0.527 0.000 2.641 51 L HA 0.630 4.970 4.340 -0.000 0.000 0.261 51 L C -1.797 175.517 176.870 0.740 0.000 0.926 51 L CA -0.180 54.963 54.840 0.506 0.000 0.917 51 L CB 1.636 43.954 42.059 0.432 0.000 1.361 51 L HN 0.534 nan 8.230 nan 0.000 0.417 52 F N 1.592 121.799 119.950 0.429 0.000 2.719 52 F HA 0.729 5.256 4.527 -0.000 0.000 0.309 52 F C -1.190 174.836 175.800 0.378 0.000 1.138 52 F CA -0.930 57.375 58.000 0.507 0.000 0.943 52 F CB 1.395 40.515 39.000 0.200 0.000 1.304 52 F HN 0.393 nan 8.300 nan 0.000 0.445 53 S N 2.603 118.595 115.700 0.487 0.000 2.461 53 S HA 0.492 4.962 4.470 -0.000 0.000 0.322 53 S C -2.050 172.569 174.600 0.030 0.000 1.063 53 S CA -1.559 56.595 58.200 -0.077 0.000 1.120 53 S CB 0.900 63.954 63.200 -0.242 0.000 0.968 53 S HN 0.525 nan 8.310 nan 0.000 0.467 54 P HA -0.130 nan 4.420 nan 0.000 0.216 54 P C 1.537 178.967 177.300 0.216 0.000 1.153 54 P CA 0.803 64.031 63.100 0.214 0.000 0.858 54 P CB 0.085 31.849 31.700 0.106 0.000 0.789 55 V N -0.222 119.738 119.914 0.077 0.000 2.287 55 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 55 V C 2.626 178.811 176.094 0.152 0.000 1.053 55 V CA 2.530 64.904 62.300 0.122 0.000 1.027 55 V CB -1.580 30.261 31.823 0.029 0.000 0.646 55 V HN 0.245 nan 8.190 nan 0.000 0.447 56 S N -0.366 115.408 115.700 0.123 0.000 2.359 56 S HA -0.176 4.294 4.470 -0.000 0.000 0.224 56 S C 1.897 176.633 174.600 0.225 0.000 1.035 56 S CA 2.007 60.327 58.200 0.200 0.000 1.018 56 S CB -0.381 63.021 63.200 0.337 0.000 0.876 56 S HN 0.520 nan 8.310 nan 0.000 0.448 57 I N 1.449 122.142 120.570 0.205 0.000 2.252 57 I HA -0.095 4.075 4.170 -0.000 0.000 0.245 57 I C 2.853 179.146 176.117 0.293 0.000 1.102 57 I CA 1.076 62.541 61.300 0.276 0.000 1.385 57 I CB -0.591 37.547 38.000 0.231 0.000 1.064 57 I HN 0.383 nan 8.210 nan 0.000 0.414 58 A N 0.878 123.814 122.820 0.193 0.000 1.898 58 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 58 A C 2.557 180.102 177.584 -0.066 0.000 1.181 58 A CA 1.768 53.821 52.037 0.027 0.000 0.620 58 A CB -0.810 18.282 19.000 0.153 0.000 0.819 58 A HN 0.417 nan 8.150 nan 0.000 0.442 59 A N -0.082 122.714 122.820 -0.040 0.000 1.902 59 A HA 0.146 4.466 4.320 -0.000 0.000 0.217 59 A C 2.508 179.962 177.584 -0.216 0.000 1.181 59 A CA 2.151 54.065 52.037 -0.204 0.000 0.623 59 A CB -1.017 18.009 19.000 0.042 0.000 0.818 59 A HN 1.036 nan 8.150 nan 0.000 0.443 60 A N -1.252 121.528 122.820 -0.066 0.000 1.877 60 A HA 0.003 4.323 4.320 -0.000 0.000 0.216 60 A C 1.963 179.385 177.584 -0.271 0.000 1.186 60 A CA 1.518 53.470 52.037 -0.142 0.000 0.620 60 A CB -0.720 18.245 19.000 -0.058 0.000 0.822 60 A HN 0.481 nan 8.150 nan 0.000 0.443 61 F N -0.184 119.677 119.950 -0.148 0.000 2.367 61 F HA 0.080 4.607 4.527 -0.000 0.000 0.298 61 F C 2.672 178.347 175.800 -0.208 0.000 1.094 61 F CA 0.703 58.615 58.000 -0.146 0.000 1.409 61 F CB -0.124 38.816 39.000 -0.100 0.000 1.064 61 F HN 0.260 nan 8.300 nan 0.000 0.528 62 A N -0.087 122.639 122.820 -0.157 0.000 1.898 62 A HA -0.205 4.115 4.320 -0.000 0.000 0.216 62 A C 2.224 179.582 177.584 -0.377 0.000 1.181 62 A CA 1.564 53.469 52.037 -0.221 0.000 0.620 62 A CB -0.707 17.994 19.000 -0.499 0.000 0.819 62 A HN 0.408 nan 8.150 nan 0.000 0.442 63 M N -0.962 118.118 119.600 -0.866 0.000 2.132 63 M HA -0.087 4.393 4.480 -0.000 0.000 0.263 63 M C 2.040 178.117 176.300 -0.372 0.000 1.065 63 M CA 1.772 56.402 55.300 -1.115 0.000 1.122 63 M CB -0.170 31.754 32.600 -1.126 0.000 1.365 63 M HN 0.395 nan 8.290 nan 0.000 0.411 64 L N 0.399 121.489 121.223 -0.223 0.000 2.083 64 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 64 L C 2.555 179.421 176.870 -0.006 0.000 1.083 64 L CA 2.243 57.052 54.840 -0.052 0.000 0.752 64 L CB -0.649 41.305 42.059 -0.175 0.000 0.899 64 L HN 0.543 nan 8.230 nan 0.000 0.433 65 S N -1.007 114.684 115.700 -0.015 0.000 2.440 65 S HA -0.199 4.271 4.470 -0.000 0.000 0.238 65 S C 1.888 176.578 174.600 0.151 0.000 1.010 65 S CA 1.366 59.594 58.200 0.047 0.000 0.972 65 S CB -0.968 62.227 63.200 -0.008 0.000 0.774 65 S HN 0.463 nan 8.310 nan 0.000 0.501 66 L N 1.196 122.478 121.223 0.098 0.000 2.456 66 L HA 0.167 4.507 4.340 -0.000 0.000 0.224 66 L C 2.333 179.317 176.870 0.190 0.000 1.148 66 L CA 1.185 56.067 54.840 0.069 0.000 0.825 66 L CB -0.410 41.590 42.059 -0.099 0.000 0.937 66 L HN 0.560 nan 8.230 nan 0.000 0.450 67 G N -1.556 107.327 108.800 0.137 0.000 3.324 67 G HA2 0.501 4.461 3.960 -0.000 0.000 0.251 67 G HA3 0.501 4.461 3.960 -0.000 0.000 0.251 67 G C 0.296 175.084 174.900 -0.187 0.000 1.072 67 G CA 0.475 45.467 45.100 -0.179 0.000 0.787 67 G HN 0.275 nan 8.290 nan 0.000 0.537 68 A N 0.303 123.104 122.820 -0.032 0.000 2.299 68 A HA 0.909 5.229 4.320 -0.000 0.000 0.332 68 A C -0.345 177.268 177.584 0.048 0.000 1.131 68 A CA -0.591 51.442 52.037 -0.006 0.000 0.844 68 A CB 1.532 20.553 19.000 0.036 0.000 1.251 68 A HN 0.188 nan 8.150 nan 0.000 0.486 69 K N -0.212 120.198 120.400 0.016 0.000 2.512 69 K HA 0.655 4.975 4.320 -0.000 0.000 0.263 69 K C 0.331 176.934 176.600 0.005 0.000 0.966 69 K CA -0.158 56.105 56.287 -0.039 0.000 0.851 69 K CB 2.105 34.559 32.500 -0.076 0.000 1.395 69 K HN 1.759 nan 8.250 nan 0.000 0.440 70 G N 1.674 110.458 108.800 -0.026 0.000 2.552 70 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.265 70 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.265 70 G C 0.330 175.278 174.900 0.081 0.000 1.234 70 G CA 0.481 45.590 45.100 0.015 0.000 0.944 70 G HN 0.732 nan 8.290 nan 0.000 0.568 71 D N -0.070 120.365 120.400 0.058 0.000 2.104 71 D HA -0.117 4.523 4.640 -0.000 0.000 0.194 71 D C 2.694 179.039 176.300 0.075 0.000 0.994 71 D CA 2.305 56.344 54.000 0.066 0.000 0.830 71 D CB -0.849 39.976 40.800 0.042 0.000 0.959 71 D HN 0.522 nan 8.370 nan 0.000 0.452 72 T N 0.554 115.143 114.554 0.059 0.000 2.620 72 T HA -0.261 4.089 4.350 -0.000 0.000 0.267 72 T C 1.770 176.512 174.700 0.070 0.000 1.044 72 T CA 1.766 63.893 62.100 0.046 0.000 1.161 72 T CB -0.621 68.257 68.868 0.015 0.000 0.862 72 T HN 0.355 nan 8.240 nan 0.000 0.438 73 H N 1.795 120.865 119.070 0.000 0.000 2.293 73 H HA -0.094 4.462 4.556 -0.000 0.000 0.300 73 H C 1.713 177.062 175.328 0.035 0.000 1.082 73 H CA 1.875 57.933 56.048 0.016 0.000 1.308 73 H CB -0.414 29.355 29.762 0.011 0.000 1.375 73 H HN 0.274 nan 8.280 nan 0.000 0.495 74 D N 0.840 121.353 120.400 0.190 0.000 2.144 74 D HA -0.131 4.509 4.640 -0.000 0.000 0.199 74 D C 2.189 178.494 176.300 0.009 0.000 0.984 74 D CA 0.939 54.997 54.000 0.097 0.000 0.834 74 D CB -0.308 40.589 40.800 0.162 0.000 0.955 74 D HN 0.610 nan 8.370 nan 0.000 0.465 75 E N 0.288 120.504 120.200 0.028 0.000 2.110 75 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 75 E C 2.350 178.955 176.600 0.009 0.000 0.988 75 E CA 0.458 56.875 56.400 0.027 0.000 0.804 75 E CB -0.025 29.702 29.700 0.045 0.000 0.745 75 E HN 0.329 nan 8.360 nan 0.000 0.458 76 I N 0.488 121.047 120.570 -0.017 0.000 2.142 76 I HA -0.273 3.897 4.170 -0.000 0.000 0.240 76 I C 2.110 178.211 176.117 -0.026 0.000 1.078 76 I CA 0.802 62.094 61.300 -0.013 0.000 1.343 76 I CB -0.140 37.862 38.000 0.003 0.000 1.046 76 I HN 0.111 nan 8.210 nan 0.000 0.405 77 L N 0.422 121.598 121.223 -0.077 0.000 2.093 77 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 77 L C 2.377 179.321 176.870 0.124 0.000 1.085 77 L CA 1.721 56.565 54.840 0.007 0.000 0.755 77 L CB -0.807 41.173 42.059 -0.132 0.000 0.904 77 L HN 0.212 nan 8.230 nan 0.000 0.435 78 E N -0.929 119.304 120.200 0.055 0.000 2.072 78 E HA -0.114 4.236 4.350 -0.000 0.000 0.190 78 E C 2.185 178.813 176.600 0.047 0.000 0.982 78 E CA 0.876 57.314 56.400 0.064 0.000 0.803 78 E CB -0.387 29.340 29.700 0.045 0.000 0.755 78 E HN 0.525 nan 8.360 nan 0.000 0.453 79 G N 0.767 109.586 108.800 0.030 0.000 2.509 79 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.218 79 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.218 79 G C 1.299 176.221 174.900 0.037 0.000 1.124 79 G CA 0.242 45.362 45.100 0.033 0.000 0.776 79 G HN 0.116 nan 8.290 nan 0.000 0.547 80 L N -0.405 120.791 121.223 -0.046 0.000 2.629 80 L HA 0.239 4.579 4.340 -0.000 0.000 0.230 80 L C 0.656 177.384 176.870 -0.236 0.000 1.151 80 L CA -0.175 54.507 54.840 -0.263 0.000 0.924 80 L CB -0.220 41.765 42.059 -0.123 0.000 1.137 80 L HN 0.146 nan 8.230 nan 0.000 0.457 81 N N -1.487 117.151 118.700 -0.103 0.000 2.818 81 N HA -0.198 4.542 4.740 -0.000 0.000 0.250 81 N C -0.792 174.525 175.510 -0.322 0.000 1.108 81 N CA 0.605 53.548 53.050 -0.179 0.000 0.745 81 N CB -1.390 36.987 38.487 -0.184 0.000 1.104 81 N HN 0.103 nan 8.380 nan 0.000 0.557 82 F N 0.615 120.550 119.950 -0.025 0.000 2.436 82 F HA 0.485 5.012 4.527 -0.000 0.000 0.340 82 F C 0.643 176.428 175.800 -0.025 0.000 1.113 82 F CA -0.968 57.011 58.000 -0.036 0.000 1.022 82 F CB 1.408 40.378 39.000 -0.050 0.000 1.128 82 F HN -0.065 nan 8.300 nan 0.000 0.466 83 N N 2.861 121.666 118.700 0.176 0.000 2.479 83 N HA 0.302 5.042 4.740 -0.000 0.000 0.261 83 N C 0.386 175.952 175.510 0.093 0.000 0.979 83 N CA -0.356 52.755 53.050 0.101 0.000 0.930 83 N CB 1.004 39.526 38.487 0.059 0.000 1.172 83 N HN 0.529 nan 8.380 nan 0.000 0.499 84 L N 2.262 123.532 121.223 0.078 0.000 2.349 84 L HA -0.068 4.272 4.340 -0.000 0.000 0.220 84 L C 1.755 178.652 176.870 0.045 0.000 1.130 84 L CA 1.477 56.352 54.840 0.059 0.000 0.791 84 L CB -0.396 41.706 42.059 0.072 0.000 0.918 84 L HN 0.661 nan 8.230 nan 0.000 0.444 85 T N -1.876 112.704 114.554 0.043 0.000 3.043 85 T HA -0.045 4.305 4.350 -0.000 0.000 0.263 85 T C 1.679 176.396 174.700 0.028 0.000 1.094 85 T CA 0.799 62.918 62.100 0.032 0.000 1.127 85 T CB 0.110 68.995 68.868 0.028 0.000 0.905 85 T HN 0.399 nan 8.240 nan 0.000 0.490 86 E N -0.113 120.108 120.200 0.034 0.000 2.251 86 E HA 0.296 4.646 4.350 -0.000 0.000 0.194 86 E C 0.344 176.961 176.600 0.029 0.000 0.964 86 E CA 0.204 56.622 56.400 0.029 0.000 0.868 86 E CB 0.773 30.491 29.700 0.031 0.000 0.828 86 E HN 0.337 nan 8.360 nan 0.000 0.481 87 I N 1.998 122.590 120.570 0.037 0.000 2.512 87 I HA 0.261 4.431 4.170 -0.000 0.000 0.287 87 I C -2.720 173.397 176.117 -0.000 0.000 1.069 87 I CA -2.866 58.446 61.300 0.021 0.000 1.056 87 I CB 2.051 40.076 38.000 0.041 0.000 1.229 87 I HN -0.223 nan 8.210 nan 0.000 0.429 88 P HA 0.021 nan 4.420 nan 0.000 0.268 88 P C 0.313 177.592 177.300 -0.036 0.000 1.204 88 P CA 0.252 63.348 63.100 -0.007 0.000 0.768 88 P CB 0.942 32.642 31.700 -0.000 0.000 0.842 89 E N 2.998 123.186 120.200 -0.020 0.000 2.147 89 E HA -0.273 4.077 4.350 -0.000 0.000 0.199 89 E C 1.869 178.449 176.600 -0.035 0.000 1.005 89 E CA 1.716 58.080 56.400 -0.060 0.000 0.810 89 E CB -0.322 29.429 29.700 0.085 0.000 0.736 89 E HN 0.554 nan 8.360 nan 0.000 0.460 90 A N 0.678 123.524 122.820 0.044 0.000 1.940 90 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 90 A C 2.011 179.602 177.584 0.013 0.000 1.176 90 A CA 1.694 53.773 52.037 0.070 0.000 0.631 90 A CB -0.432 18.593 19.000 0.041 0.000 0.814 90 A HN 0.365 nan 8.150 nan 0.000 0.446 91 Q N -0.776 119.000 119.800 -0.039 0.000 2.245 91 Q HA 0.029 4.369 4.340 -0.000 0.000 0.201 91 Q C 1.974 177.899 176.000 -0.125 0.000 0.955 91 Q CA 0.923 56.689 55.803 -0.062 0.000 0.870 91 Q CB -0.186 28.522 28.738 -0.051 0.000 0.945 91 Q HN 0.759 nan 8.270 nan 0.000 0.461 92 I N 0.507 120.939 120.570 -0.230 0.000 2.133 92 I HA -0.272 3.898 4.170 -0.000 0.000 0.238 92 I C 2.132 178.105 176.117 -0.241 0.000 1.074 92 I CA 1.114 62.160 61.300 -0.423 0.000 1.342 92 I CB -0.568 36.974 38.000 -0.763 0.000 1.053 92 I HN 0.265 nan 8.210 nan 0.000 0.404 93 H N 0.437 119.496 119.070 -0.019 0.000 2.489 93 H HA -0.163 4.393 4.556 -0.000 0.000 0.295 93 H C 2.018 177.279 175.328 -0.111 0.000 1.082 93 H CA 1.336 57.401 56.048 0.028 0.000 1.295 93 H CB -0.187 29.614 29.762 0.066 0.000 1.380 93 H HN 0.466 nan 8.280 nan 0.000 0.548 94 E N -0.103 120.099 120.200 0.004 0.000 2.112 94 E HA -0.034 4.316 4.350 -0.000 0.000 0.190 94 E C 2.536 179.093 176.600 -0.071 0.000 0.979 94 E CA 0.623 56.996 56.400 -0.045 0.000 0.814 94 E CB -0.041 29.639 29.700 -0.033 0.000 0.762 94 E HN 0.460 nan 8.360 nan 0.000 0.460 95 G N -0.127 108.608 108.800 -0.108 0.000 2.422 95 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 95 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 95 G C 1.173 175.968 174.900 -0.175 0.000 1.146 95 G CA 0.433 45.441 45.100 -0.154 0.000 0.769 95 G HN 0.173 nan 8.290 nan 0.000 0.547 96 F N 0.745 120.611 119.950 -0.140 0.000 2.146 96 F HA -0.021 4.506 4.527 0.000 0.000 0.298 96 F C 2.894 178.564 175.800 -0.216 0.000 1.096 96 F CA 1.524 59.421 58.000 -0.172 0.000 1.275 96 F CB -0.456 38.367 39.000 -0.295 0.000 1.008 96 F HN 0.242 nan 8.300 nan 0.000 0.480 97 Q N 0.186 119.913 119.800 -0.121 0.000 2.096 97 Q HA -0.220 4.120 4.340 -0.000 0.000 0.204 97 Q C 2.104 178.185 176.000 0.135 0.000 0.982 97 Q CA 1.760 57.490 55.803 -0.122 0.000 0.850 97 Q CB -0.117 28.493 28.738 -0.214 0.000 0.901 97 Q HN 0.250 nan 8.270 nan 0.000 0.422 98 E N 0.297 120.540 120.200 0.072 0.000 2.072 98 E HA -0.134 4.216 4.350 -0.000 0.000 0.190 98 E C 2.069 178.756 176.600 0.145 0.000 0.982 98 E CA 0.723 57.195 56.400 0.120 0.000 0.803 98 E CB -0.256 29.475 29.700 0.052 0.000 0.755 98 E HN 0.372 nan 8.360 nan 0.000 0.453 99 L N 1.099 122.372 121.223 0.084 0.000 1.990 99 L HA -0.193 4.147 4.340 -0.000 0.000 0.213 99 L C 2.322 179.270 176.870 0.129 0.000 1.072 99 L CA 1.623 56.510 54.840 0.078 0.000 0.755 99 L CB -0.672 41.407 42.059 0.034 0.000 0.889 99 L HN 0.089 nan 8.230 nan 0.000 0.432 100 L N -1.045 120.293 121.223 0.192 0.000 2.079 100 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 100 L C 2.646 179.610 176.870 0.157 0.000 1.081 100 L CA 1.582 56.549 54.840 0.211 0.000 0.752 100 L CB -0.884 41.366 42.059 0.319 0.000 0.896 100 L HN 0.519 nan 8.230 nan 0.000 0.433 101 H N -0.351 118.769 119.070 0.082 0.000 2.389 101 H HA -0.115 4.441 4.556 -0.000 0.000 0.299 101 H C 2.138 177.465 175.328 -0.002 0.000 1.081 101 H CA 2.002 58.034 56.048 -0.027 0.000 1.345 101 H CB 0.037 29.806 29.762 0.011 0.000 1.393 101 H HN 0.079 nan 8.280 nan 0.000 0.520 102 T N 0.673 115.202 114.554 -0.041 0.000 2.812 102 T HA -0.022 4.328 4.350 -0.000 0.000 0.264 102 T C 2.193 176.859 174.700 -0.057 0.000 1.042 102 T CA 1.114 63.160 62.100 -0.089 0.000 1.140 102 T CB -0.190 68.686 68.868 0.014 0.000 0.870 102 T HN 0.228 nan 8.240 nan 0.000 0.445 103 L N 1.290 122.513 121.223 0.001 0.000 2.131 103 L HA -0.056 4.284 4.340 -0.000 0.000 0.210 103 L C 2.254 179.134 176.870 0.016 0.000 1.092 103 L CA 0.885 55.741 54.840 0.027 0.000 0.759 103 L CB -0.449 41.644 42.059 0.057 0.000 0.903 103 L HN 0.229 nan 8.230 nan 0.000 0.435 104 N N -0.437 118.251 118.700 -0.020 0.000 2.463 104 N HA -0.062 4.678 4.740 -0.000 0.000 0.181 104 N C 0.614 176.088 175.510 -0.061 0.000 1.078 104 N CA 0.201 53.238 53.050 -0.021 0.000 0.902 104 N CB 0.013 38.483 38.487 -0.029 0.000 0.970 104 N HN 0.247 nan 8.380 nan 0.000 0.451 105 Q N 1.996 121.721 119.800 -0.125 0.000 2.247 105 Q HA 0.114 4.454 4.340 -0.000 0.000 0.288 105 Q C -2.376 173.598 176.000 -0.043 0.000 1.079 105 Q CA -1.014 54.711 55.803 -0.129 0.000 0.932 105 Q CB 0.494 29.134 28.738 -0.163 0.000 1.133 105 Q HN 0.057 nan 8.270 nan 0.000 0.377 106 P HA -0.052 nan 4.420 nan 0.000 0.262 106 P C -1.113 176.191 177.300 0.008 0.000 1.199 106 P CA 0.176 63.278 63.100 0.004 0.000 0.763 106 P CB 0.493 32.196 31.700 0.005 0.000 0.790 107 D N 1.913 122.325 120.400 0.019 0.000 2.193 107 D HA 0.060 4.700 4.640 -0.000 0.000 0.244 107 D C 1.007 177.317 176.300 0.017 0.000 1.064 107 D CA -0.271 53.743 54.000 0.022 0.000 0.845 107 D CB 1.298 42.118 40.800 0.035 0.000 1.148 107 D HN 0.252 nan 8.370 nan 0.000 0.464 108 S N 2.759 118.469 115.700 0.017 0.000 2.507 108 S HA -0.120 4.350 4.470 -0.000 0.000 0.235 108 S C 1.061 175.667 174.600 0.011 0.000 0.988 108 S CA 0.899 59.107 58.200 0.013 0.000 0.944 108 S CB 0.021 63.229 63.200 0.014 0.000 0.762 108 S HN 0.610 nan 8.310 nan 0.000 0.526 109 Q N -0.065 119.743 119.800 0.013 0.000 2.245 109 Q HA 0.422 4.762 4.340 -0.000 0.000 0.236 109 Q C -0.426 175.564 176.000 -0.016 0.000 0.842 109 Q CA -0.155 55.653 55.803 0.008 0.000 0.945 109 Q CB 0.896 29.651 28.738 0.028 0.000 1.122 109 Q HN 0.687 nan 8.270 nan 0.000 0.506 110 L N -2.822 118.386 121.223 -0.026 0.000 2.479 110 L HA 0.507 4.847 4.340 -0.000 0.000 0.255 110 L C -1.606 175.218 176.870 -0.077 0.000 1.026 110 L CA -1.037 53.745 54.840 -0.096 0.000 0.842 110 L CB 1.631 43.626 42.059 -0.108 0.000 1.444 110 L HN -0.231 nan 8.230 nan 0.000 0.409 111 Q N 1.780 121.486 119.800 -0.157 0.000 2.325 111 Q HA 0.780 5.120 4.340 -0.000 0.000 0.262 111 Q C -1.503 174.478 176.000 -0.032 0.000 0.968 111 Q CA -0.620 55.165 55.803 -0.031 0.000 0.877 111 Q CB 2.533 31.317 28.738 0.077 0.000 1.253 111 Q HN 0.619 nan 8.270 nan 0.000 0.448 112 L N 1.644 122.943 121.223 0.128 0.000 2.543 112 L HA 0.602 4.942 4.340 -0.000 0.000 0.265 112 L C -1.613 175.386 176.870 0.214 0.000 0.945 112 L CA 0.225 55.191 54.840 0.210 0.000 0.869 112 L CB 2.567 44.766 42.059 0.232 0.000 1.294 112 L HN 0.603 nan 8.230 nan 0.000 0.405 113 T N 2.262 116.982 114.554 0.276 0.000 2.932 113 T HA 0.832 5.182 4.350 -0.000 0.000 0.318 113 T C -1.188 173.608 174.700 0.161 0.000 1.265 113 T CA -0.668 61.570 62.100 0.229 0.000 1.036 113 T CB 2.052 71.111 68.868 0.319 0.000 1.209 113 T HN 0.615 nan 8.240 nan 0.000 0.484 114 T N 0.628 115.173 114.554 -0.014 0.000 2.933 114 T HA 0.797 5.147 4.350 -0.000 0.000 0.305 114 T C -0.349 174.123 174.700 -0.381 0.000 1.092 114 T CA -0.992 60.962 62.100 -0.244 0.000 1.008 114 T CB 2.074 70.907 68.868 -0.058 0.000 1.102 114 T HN 1.011 nan 8.240 nan 0.000 0.469 115 G N 1.432 109.760 108.800 -0.788 0.000 2.696 115 G HA2 0.654 4.614 3.960 -0.000 0.000 0.295 115 G HA3 0.654 4.614 3.960 -0.000 0.000 0.295 115 G C -1.736 173.176 174.900 0.019 0.000 1.398 115 G CA -0.893 44.039 45.100 -0.281 0.000 0.920 115 G HN 0.586 nan 8.290 nan 0.000 0.492 116 N N -0.867 117.960 118.700 0.212 0.000 2.314 116 N HA 0.727 5.466 4.740 -0.000 0.000 0.304 116 N C -0.086 175.529 175.510 0.175 0.000 1.073 116 N CA -0.353 52.822 53.050 0.209 0.000 0.822 116 N CB 2.413 40.958 38.487 0.096 0.000 1.280 116 N HN 0.787 nan 8.380 nan 0.000 0.489 117 G N 0.539 109.395 108.800 0.093 0.000 2.662 117 G HA2 0.641 4.601 3.960 -0.000 0.000 0.302 117 G HA3 0.641 4.601 3.960 -0.000 0.000 0.302 117 G C -1.391 173.409 174.900 -0.166 0.000 1.389 117 G CA -0.487 44.471 45.100 -0.236 0.000 0.998 117 G HN 0.383 nan 8.290 nan 0.000 0.502 118 L N 1.370 122.343 121.223 -0.417 0.000 2.333 118 L HA 0.525 4.865 4.340 -0.000 0.000 0.280 118 L C -1.099 175.543 176.870 -0.381 0.000 1.004 118 L CA -0.734 53.948 54.840 -0.263 0.000 0.820 118 L CB 1.784 43.746 42.059 -0.162 0.000 1.247 118 L HN 0.412 nan 8.230 nan 0.000 0.416 119 F N 4.491 124.446 119.950 0.009 0.000 2.359 119 F HA 0.449 4.976 4.527 -0.000 0.000 0.369 119 F C -0.105 175.844 175.800 0.248 0.000 1.084 119 F CA -0.471 57.622 58.000 0.154 0.000 1.096 119 F CB 0.857 39.971 39.000 0.189 0.000 1.335 119 F HN 0.154 nan 8.300 nan 0.000 0.457 120 L N 1.826 123.241 121.223 0.319 0.000 2.307 120 L HA 0.463 4.803 4.340 -0.000 0.000 0.282 120 L C 0.680 177.782 176.870 0.387 0.000 1.051 120 L CA -0.847 54.228 54.840 0.391 0.000 0.804 120 L CB 1.536 43.758 42.059 0.273 0.000 1.197 120 L HN 0.480 nan 8.230 nan 0.000 0.431 121 S N 1.832 117.836 115.700 0.507 0.000 2.549 121 S HA 0.087 4.557 4.470 -0.000 0.000 0.283 121 S C 0.024 174.754 174.600 0.217 0.000 1.320 121 S CA -0.541 57.916 58.200 0.430 0.000 1.058 121 S CB 0.198 63.663 63.200 0.442 0.000 0.882 121 S HN 0.587 nan 8.310 nan 0.000 0.498 122 E N 2.551 122.838 120.200 0.144 0.000 2.344 122 E HA 0.429 4.779 4.350 -0.000 0.000 0.270 122 E C 1.174 177.829 176.600 0.092 0.000 1.021 122 E CA 0.477 56.932 56.400 0.092 0.000 0.887 122 E CB 0.595 30.330 29.700 0.057 0.000 0.997 122 E HN 0.983 nan 8.360 nan 0.000 0.429 123 G N 2.657 111.500 108.800 0.072 0.000 2.195 123 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.224 123 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.224 123 G C -0.264 174.670 174.900 0.058 0.000 0.990 123 G CA -0.151 44.985 45.100 0.060 0.000 0.639 123 G HN 0.412 nan 8.290 nan 0.000 0.514 124 L N 1.427 122.694 121.223 0.074 0.000 2.265 124 L HA 0.842 5.182 4.340 -0.000 0.000 0.289 124 L C 0.334 177.229 176.870 0.042 0.000 1.033 124 L CA -1.334 53.542 54.840 0.059 0.000 0.814 124 L CB 1.097 43.209 42.059 0.087 0.000 1.203 124 L HN 0.101 nan 8.230 nan 0.000 0.423 125 K N 4.391 124.800 120.400 0.016 0.000 2.412 125 K HA 0.463 4.783 4.320 -0.000 0.000 0.281 125 K C -1.078 175.517 176.600 -0.009 0.000 1.027 125 K CA 0.424 56.714 56.287 0.005 0.000 0.989 125 K CB 0.247 32.743 32.500 -0.006 0.000 0.935 125 K HN 0.696 nan 8.250 nan 0.000 0.475 126 L N 2.722 123.946 121.223 0.003 0.000 2.271 126 L HA 0.531 4.871 4.340 -0.000 0.000 0.265 126 L C -0.692 176.176 176.870 -0.003 0.000 1.013 126 L CA -1.541 53.296 54.840 -0.004 0.000 0.820 126 L CB 1.959 44.048 42.059 0.050 0.000 1.352 126 L HN 0.218 nan 8.230 nan 0.000 0.443 127 V N 0.902 120.817 119.914 0.000 0.000 2.364 127 V HA 0.081 4.201 4.120 -0.000 0.000 0.272 127 V C 0.385 176.517 176.094 0.064 0.000 1.036 127 V CA -0.372 61.937 62.300 0.014 0.000 0.880 127 V CB 0.977 32.792 31.823 -0.013 0.000 0.991 127 V HN 0.707 nan 8.190 nan 0.000 0.460 128 D N 3.587 124.006 120.400 0.032 0.000 2.133 128 D HA -0.238 4.402 4.640 -0.000 0.000 0.192 128 D C 1.937 178.252 176.300 0.024 0.000 1.001 128 D CA 1.658 55.672 54.000 0.023 0.000 0.844 128 D CB 0.200 41.002 40.800 0.004 0.000 0.944 128 D HN 0.575 nan 8.370 nan 0.000 0.447 129 K N 0.341 120.757 120.400 0.027 0.000 2.089 129 K HA -0.202 4.118 4.320 -0.000 0.000 0.210 129 K C 1.987 178.611 176.600 0.040 0.000 1.048 129 K CA 0.938 57.237 56.287 0.020 0.000 0.926 129 K CB -0.633 31.879 32.500 0.020 0.000 0.714 129 K HN 0.098 nan 8.250 nan 0.000 0.448 130 F N 0.708 120.614 119.950 -0.073 0.000 2.113 130 F HA -0.025 4.502 4.527 -0.000 0.000 0.297 130 F C 1.561 177.319 175.800 -0.070 0.000 1.103 130 F CA 1.363 59.312 58.000 -0.084 0.000 1.248 130 F CB -0.268 38.673 39.000 -0.099 0.000 0.999 130 F HN -0.018 nan 8.300 nan 0.000 0.475 131 L N 0.399 121.583 121.223 -0.065 0.000 2.079 131 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 131 L C 2.446 179.197 176.870 -0.199 0.000 1.081 131 L CA 2.058 56.801 54.840 -0.161 0.000 0.752 131 L CB -0.952 41.086 42.059 -0.035 0.000 0.896 131 L HN 0.336 nan 8.230 nan 0.000 0.433 132 E N -0.764 119.354 120.200 -0.136 0.000 2.170 132 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 132 E C 1.315 177.826 176.600 -0.149 0.000 0.981 132 E CA 0.799 57.127 56.400 -0.120 0.000 0.830 132 E CB -0.198 29.457 29.700 -0.073 0.000 0.775 132 E HN 0.388 nan 8.360 nan 0.000 0.470 133 D N 1.676 121.969 120.400 -0.179 0.000 2.097 133 D HA -0.151 4.489 4.640 -0.000 0.000 0.195 133 D C 2.376 178.555 176.300 -0.201 0.000 0.989 133 D CA 2.050 55.943 54.000 -0.178 0.000 0.827 133 D CB -0.184 40.510 40.800 -0.177 0.000 0.966 133 D HN 0.287 nan 8.370 nan 0.000 0.456 134 V N -0.283 119.418 119.914 -0.354 0.000 2.270 134 V HA -0.190 3.930 4.120 -0.000 0.000 0.245 134 V C 2.089 178.080 176.094 -0.171 0.000 1.043 134 V CA 1.427 63.545 62.300 -0.304 0.000 1.014 134 V CB -0.763 30.713 31.823 -0.578 0.000 0.645 134 V HN -0.015 nan 8.190 nan 0.000 0.447 135 K N 0.533 120.815 120.400 -0.197 0.000 2.152 135 K HA -0.197 4.123 4.320 -0.000 0.000 0.206 135 K C 2.244 178.784 176.600 -0.101 0.000 1.048 135 K CA 2.005 58.214 56.287 -0.130 0.000 0.933 135 K CB -0.210 32.213 32.500 -0.128 0.000 0.721 135 K HN 0.515 nan 8.250 nan 0.000 0.447 136 K N 0.730 121.056 120.400 -0.123 0.000 2.029 136 K HA -0.025 4.295 4.320 -0.000 0.000 0.205 136 K C 1.769 178.223 176.600 -0.242 0.000 1.042 136 K CA 0.875 57.086 56.287 -0.126 0.000 0.949 136 K CB -0.174 32.266 32.500 -0.099 0.000 0.740 136 K HN -0.115 nan 8.250 nan 0.000 0.442 137 L N 0.057 121.147 121.223 -0.221 0.000 2.109 137 L HA -0.021 4.319 4.340 -0.000 0.000 0.207 137 L C 1.203 177.695 176.870 -0.630 0.000 1.086 137 L CA 1.689 56.331 54.840 -0.329 0.000 0.760 137 L CB -0.652 41.319 42.059 -0.145 0.000 0.910 137 L HN 0.246 nan 8.230 nan 0.000 0.437 138 Y N -1.696 118.389 120.300 -0.359 0.000 2.660 138 Y HA 0.229 4.779 4.550 -0.000 0.000 0.254 138 Y C 0.489 176.261 175.900 -0.213 0.000 1.176 138 Y CA -0.940 56.989 58.100 -0.284 0.000 1.195 138 Y CB -0.338 38.012 38.460 -0.183 0.000 1.190 138 Y HN 0.232 nan 8.280 nan 0.000 0.535 139 H N -1.455 117.642 119.070 0.045 0.000 2.845 139 H HA -0.209 4.347 4.556 -0.000 0.000 0.296 139 H C 0.925 176.263 175.328 0.017 0.000 1.116 139 H CA 0.888 56.951 56.048 0.026 0.000 1.162 139 H CB -1.470 28.320 29.762 0.048 0.000 1.338 139 H HN 0.322 nan 8.280 nan 0.000 0.370 140 S N 0.063 115.787 115.700 0.040 0.000 2.573 140 S HA 0.182 4.652 4.470 -0.000 0.000 0.277 140 S C 0.519 175.042 174.600 -0.128 0.000 1.346 140 S CA -0.207 57.971 58.200 -0.037 0.000 1.034 140 S CB 1.153 64.282 63.200 -0.119 0.000 0.879 140 S HN 0.424 nan 8.310 nan 0.000 0.528 141 E N 1.050 121.106 120.200 -0.239 0.000 2.166 141 E HA 0.625 4.975 4.350 -0.000 0.000 0.275 141 E C -0.939 175.157 176.600 -0.840 0.000 0.941 141 E CA -0.384 55.711 56.400 -0.508 0.000 0.784 141 E CB 1.587 30.970 29.700 -0.529 0.000 1.115 141 E HN 0.687 nan 8.360 nan 0.000 0.399 142 A N 4.103 126.436 122.820 -0.812 0.000 2.288 142 A HA 0.663 4.983 4.320 -0.000 0.000 0.320 142 A C -1.369 175.718 177.584 -0.827 0.000 1.217 142 A CA -0.478 51.150 52.037 -0.681 0.000 0.840 142 A CB 0.158 18.964 19.000 -0.323 0.000 1.179 142 A HN 0.488 nan 8.150 nan 0.000 0.504 143 F N 0.989 120.725 119.950 -0.356 0.000 2.507 143 F HA 0.536 5.063 4.527 0.000 0.000 0.325 143 F C 0.737 176.445 175.800 -0.153 0.000 1.116 143 F CA -0.549 57.268 58.000 -0.305 0.000 0.930 143 F CB 2.431 41.113 39.000 -0.530 0.000 1.146 143 F HN 0.527 nan 8.300 nan 0.000 0.447 144 T N 0.845 115.459 114.554 0.101 0.000 2.767 144 T HA 0.758 5.108 4.350 -0.000 0.000 0.284 144 T C -0.517 174.202 174.700 0.032 0.000 0.973 144 T CA -0.664 61.480 62.100 0.074 0.000 0.996 144 T CB 1.018 69.919 68.868 0.056 0.000 0.927 144 T HN 0.678 nan 8.240 nan 0.000 0.456 145 V N 0.321 120.205 119.914 -0.050 0.000 3.078 145 V HA 0.703 4.823 4.120 -0.000 0.000 0.311 145 V C -0.780 175.157 176.094 -0.262 0.000 1.138 145 V CA -1.295 60.890 62.300 -0.191 0.000 1.007 145 V CB 2.185 33.806 31.823 -0.336 0.000 1.045 145 V HN 0.839 nan 8.190 nan 0.000 0.432 146 N N 1.268 119.847 118.700 -0.201 0.000 2.437 146 N HA 0.369 5.109 4.740 -0.000 0.000 0.243 146 N C -0.145 175.283 175.510 -0.137 0.000 1.041 146 N CA -0.547 52.444 53.050 -0.097 0.000 0.940 146 N CB 0.597 39.063 38.487 -0.033 0.000 1.133 146 N HN 0.719 nan 8.380 nan 0.000 0.506 147 F N 1.288 121.273 119.950 0.057 0.000 2.802 147 F HA 0.224 4.751 4.527 -0.000 0.000 0.300 147 F C 2.186 178.009 175.800 0.037 0.000 1.168 147 F CA 0.162 58.192 58.000 0.050 0.000 1.433 147 F CB 0.073 39.110 39.000 0.062 0.000 1.115 147 F HN 0.621 nan 8.300 nan 0.000 0.582 148 G N -1.360 107.536 108.800 0.161 0.000 2.448 148 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.218 148 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.218 148 G C 0.527 175.470 174.900 0.072 0.000 1.135 148 G CA 0.362 45.525 45.100 0.106 0.000 0.784 148 G HN 0.167 nan 8.290 nan 0.000 0.543 149 D N 0.190 120.620 120.400 0.050 0.000 2.557 149 D HA 0.238 4.878 4.640 -0.000 0.000 0.236 149 D C 1.374 177.691 176.300 0.027 0.000 1.154 149 D CA -0.197 53.816 54.000 0.023 0.000 0.985 149 D CB 0.527 41.325 40.800 -0.004 0.000 1.010 149 D HN -0.073 nan 8.370 nan 0.000 0.516 150 T N 1.532 116.120 114.554 0.057 0.000 2.803 150 T HA -0.188 4.162 4.350 -0.000 0.000 0.269 150 T C 1.443 176.161 174.700 0.030 0.000 1.052 150 T CA 1.411 63.555 62.100 0.074 0.000 1.136 150 T CB 0.272 69.186 68.868 0.077 0.000 0.864 150 T HN 0.210 nan 8.240 nan 0.000 0.467 151 E N 0.469 120.674 120.200 0.008 0.000 2.107 151 E HA -0.035 4.315 4.350 -0.000 0.000 0.191 151 E C 2.078 178.659 176.600 -0.032 0.000 0.982 151 E CA 0.871 57.264 56.400 -0.013 0.000 0.809 151 E CB -0.162 29.531 29.700 -0.012 0.000 0.756 151 E HN 0.377 nan 8.360 nan 0.000 0.459 152 E N -0.135 120.044 120.200 -0.034 0.000 2.076 152 E HA 0.033 4.383 4.350 -0.000 0.000 0.190 152 E C 1.796 178.345 176.600 -0.084 0.000 0.979 152 E CA 1.205 57.573 56.400 -0.055 0.000 0.807 152 E CB -0.391 29.278 29.700 -0.051 0.000 0.761 152 E HN 0.203 nan 8.360 nan 0.000 0.454 153 A N 0.716 123.479 122.820 -0.095 0.000 1.908 153 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 153 A C 2.102 179.608 177.584 -0.131 0.000 1.181 153 A CA 1.935 53.874 52.037 -0.163 0.000 0.627 153 A CB -0.437 18.460 19.000 -0.172 0.000 0.818 153 A HN 0.191 nan 8.150 nan 0.000 0.445 154 K N -0.365 119.989 120.400 -0.077 0.000 2.057 154 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 154 K C 2.190 178.705 176.600 -0.141 0.000 1.050 154 K CA 1.588 57.809 56.287 -0.111 0.000 0.935 154 K CB -0.129 32.325 32.500 -0.075 0.000 0.715 154 K HN 0.544 nan 8.250 nan 0.000 0.439 155 K N 1.256 121.593 120.400 -0.105 0.000 2.032 155 K HA -0.250 4.070 4.320 -0.000 0.000 0.209 155 K C 2.018 178.554 176.600 -0.107 0.000 1.048 155 K CA 1.731 57.961 56.287 -0.096 0.000 0.927 155 K CB 0.032 32.489 32.500 -0.072 0.000 0.712 155 K HN 0.157 nan 8.250 nan 0.000 0.441 156 Q N 0.366 120.096 119.800 -0.118 0.000 2.050 156 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 156 Q C 2.275 178.202 176.000 -0.122 0.000 0.980 156 Q CA 1.892 57.637 55.803 -0.096 0.000 0.840 156 Q CB -0.169 28.534 28.738 -0.057 0.000 0.898 156 Q HN 0.419 nan 8.270 nan 0.000 0.424 157 I N 1.228 121.574 120.570 -0.372 0.000 2.142 157 I HA -0.289 3.881 4.170 -0.000 0.000 0.240 157 I C 1.787 177.794 176.117 -0.183 0.000 1.078 157 I CA 0.925 61.856 61.300 -0.614 0.000 1.343 157 I CB -0.434 37.127 38.000 -0.731 0.000 1.046 157 I HN 0.220 nan 8.210 nan 0.000 0.405 158 N N 0.845 119.440 118.700 -0.176 0.000 2.289 158 N HA -0.171 4.569 4.740 -0.000 0.000 0.184 158 N C 1.344 176.812 175.510 -0.070 0.000 1.016 158 N CA 1.246 54.225 53.050 -0.118 0.000 0.872 158 N CB -0.426 37.985 38.487 -0.128 0.000 0.973 158 N HN 0.379 nan 8.380 nan 0.000 0.433 159 D N -0.495 119.874 120.400 -0.052 0.000 2.183 159 D HA -0.115 4.525 4.640 -0.000 0.000 0.203 159 D C 1.761 178.050 176.300 -0.018 0.000 0.969 159 D CA 0.432 54.404 54.000 -0.047 0.000 0.842 159 D CB -0.280 40.492 40.800 -0.046 0.000 0.957 159 D HN 0.297 nan 8.370 nan 0.000 0.484 160 Y N 1.834 122.097 120.300 -0.062 0.000 2.114 160 Y HA -0.233 4.317 4.550 -0.000 0.000 0.284 160 Y C 2.182 178.031 175.900 -0.084 0.000 1.143 160 Y CA 1.275 59.378 58.100 0.005 0.000 1.135 160 Y CB -0.404 38.201 38.460 0.241 0.000 0.980 160 Y HN -0.213 nan 8.280 nan 0.000 0.499 161 V N 0.789 120.673 119.914 -0.050 0.000 2.358 161 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 161 V C 2.323 178.247 176.094 -0.284 0.000 1.047 161 V CA 2.207 64.400 62.300 -0.178 0.000 1.035 161 V CB -0.881 30.954 31.823 0.020 0.000 0.658 161 V HN 0.522 nan 8.190 nan 0.000 0.452 162 E N 0.127 120.210 120.200 -0.194 0.000 2.153 162 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 162 E C 2.207 178.644 176.600 -0.271 0.000 0.988 162 E CA 1.042 57.328 56.400 -0.192 0.000 0.811 162 E CB 0.011 29.633 29.700 -0.132 0.000 0.746 162 E HN 0.384 nan 8.360 nan 0.000 0.466 163 K N 0.037 120.250 120.400 -0.312 0.000 2.025 163 K HA -0.042 4.278 4.320 -0.000 0.000 0.207 163 K C 2.169 178.475 176.600 -0.490 0.000 1.049 163 K CA 1.230 57.320 56.287 -0.329 0.000 0.933 163 K CB -0.662 31.685 32.500 -0.256 0.000 0.714 163 K HN 0.292 nan 8.250 nan 0.000 0.438 164 G N 0.879 109.182 108.800 -0.827 0.000 2.422 164 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.218 164 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.218 164 G C 1.342 175.808 174.900 -0.722 0.000 1.140 164 G CA 1.425 45.744 45.100 -1.302 0.000 0.775 164 G HN 0.450 nan 8.290 nan 0.000 0.545 165 T N -1.866 112.388 114.554 -0.501 0.000 3.188 165 T HA 0.201 4.551 4.350 -0.000 0.000 0.250 165 T C 0.855 175.282 174.700 -0.455 0.000 1.077 165 T CA 0.267 62.243 62.100 -0.207 0.000 0.967 165 T CB 0.065 68.942 68.868 0.016 0.000 1.006 165 T HN 0.234 nan 8.240 nan 0.000 0.552 166 Q N 0.345 119.781 119.800 -0.606 0.000 2.434 166 Q HA -0.249 4.091 4.340 -0.000 0.000 0.299 166 Q C 1.283 177.112 176.000 -0.285 0.000 1.286 166 Q CA 1.087 56.563 55.803 -0.545 0.000 0.872 166 Q CB -2.404 25.775 28.738 -0.931 0.000 1.193 166 Q HN 1.218 nan 8.270 nan 0.000 0.466 167 G N -0.913 107.766 108.800 -0.202 0.000 2.199 167 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.254 167 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.254 167 G C 0.919 175.786 174.900 -0.055 0.000 0.982 167 G CA 0.545 45.577 45.100 -0.113 0.000 0.632 167 G HN 0.255 nan 8.290 nan 0.000 0.529 168 K N 0.009 120.397 120.400 -0.022 0.000 2.097 168 K HA 0.196 4.516 4.320 -0.000 0.000 0.205 168 K C 1.130 177.748 176.600 0.030 0.000 1.050 168 K CA 0.922 57.239 56.287 0.050 0.000 0.938 168 K CB -0.060 32.538 32.500 0.163 0.000 0.718 168 K HN 0.573 nan 8.250 nan 0.000 0.442 169 I N 1.484 122.060 120.570 0.009 0.000 2.466 169 I HA 0.104 4.274 4.170 -0.000 0.000 0.279 169 I C -0.631 175.463 176.117 -0.038 0.000 1.033 169 I CA -0.895 60.405 61.300 0.001 0.000 1.123 169 I CB 1.872 39.892 38.000 0.034 0.000 1.237 169 I HN -0.303 nan 8.210 nan 0.000 0.460 170 V N 2.829 122.717 119.914 -0.043 0.000 2.667 170 V HA 0.583 4.703 4.120 -0.000 0.000 0.308 170 V C -0.137 175.920 176.094 -0.061 0.000 1.048 170 V CA -0.398 61.867 62.300 -0.059 0.000 0.928 170 V CB 1.742 33.531 31.823 -0.057 0.000 1.004 170 V HN 0.797 nan 8.190 nan 0.000 0.444 171 D N 1.927 122.282 120.400 -0.075 0.000 2.705 171 D HA -0.204 4.436 4.640 -0.000 0.000 0.240 171 D C 0.634 176.875 176.300 -0.098 0.000 1.137 171 D CA 1.144 55.093 54.000 -0.085 0.000 0.677 171 D CB -0.732 40.028 40.800 -0.066 0.000 1.049 171 D HN 0.773 nan 8.370 nan 0.000 0.427 172 L N -0.258 120.894 121.223 -0.119 0.000 1.989 172 L HA -0.143 4.197 4.340 -0.000 0.000 0.211 172 L C 0.843 177.589 176.870 -0.206 0.000 1.071 172 L CA 1.746 56.503 54.840 -0.139 0.000 0.749 172 L CB 0.120 42.091 42.059 -0.147 0.000 0.890 172 L HN 0.131 nan 8.230 nan 0.000 0.431 173 V N 1.473 121.206 119.914 -0.303 0.000 2.385 173 V HA 0.174 4.294 4.120 -0.000 0.000 0.269 173 V C 0.984 176.968 176.094 -0.182 0.000 1.043 173 V CA -0.581 61.507 62.300 -0.353 0.000 0.906 173 V CB 0.875 32.365 31.823 -0.555 0.000 0.995 173 V HN 0.275 nan 8.190 nan 0.000 0.467 174 K N 3.308 123.638 120.400 -0.116 0.000 2.128 174 K HA 0.135 4.455 4.320 -0.000 0.000 0.202 174 K C 0.603 177.179 176.600 -0.039 0.000 1.050 174 K CA 0.782 57.031 56.287 -0.064 0.000 0.966 174 K CB 0.414 32.891 32.500 -0.040 0.000 0.759 174 K HN 0.910 nan 8.250 nan 0.000 0.454 175 E N 0.445 120.632 120.200 -0.021 0.000 2.317 175 E HA 0.550 4.900 4.350 -0.000 0.000 0.270 175 E C -1.270 175.356 176.600 0.044 0.000 0.885 175 E CA -0.985 55.422 56.400 0.012 0.000 0.760 175 E CB 1.888 31.601 29.700 0.022 0.000 1.227 175 E HN -0.180 nan 8.360 nan 0.000 0.434 176 L N 1.976 123.236 121.223 0.062 0.000 2.438 176 L HA 0.315 4.655 4.340 -0.000 0.000 0.270 176 L C -1.111 175.807 176.870 0.081 0.000 0.972 176 L CA -0.562 54.340 54.840 0.104 0.000 0.831 176 L CB 1.818 43.963 42.059 0.143 0.000 1.273 176 L HN 0.657 nan 8.230 nan 0.000 0.405 177 D N 3.114 123.549 120.400 0.058 0.000 2.488 177 D HA -0.006 4.634 4.640 -0.000 0.000 0.238 177 D C 1.135 177.452 176.300 0.028 0.000 1.138 177 D CA 0.342 54.360 54.000 0.029 0.000 0.873 177 D CB 1.078 41.879 40.800 0.001 0.000 1.183 177 D HN 0.432 nan 8.370 nan 0.000 0.458 178 R N 2.274 122.797 120.500 0.037 0.000 2.120 178 R HA -0.115 4.225 4.340 -0.000 0.000 0.234 178 R C 0.290 176.614 176.300 0.041 0.000 1.123 178 R CA 1.047 57.180 56.100 0.054 0.000 0.975 178 R CB 0.075 30.401 30.300 0.044 0.000 0.866 178 R HN 0.576 nan 8.270 nan 0.000 0.446 179 D N 0.330 120.732 120.400 0.004 0.000 2.319 179 D HA 0.013 4.653 4.640 -0.000 0.000 0.230 179 D C -0.026 176.223 176.300 -0.084 0.000 1.094 179 D CA 0.247 54.237 54.000 -0.016 0.000 0.856 179 D CB 0.198 40.989 40.800 -0.014 0.000 0.915 179 D HN 0.024 nan 8.370 nan 0.000 0.517 180 T N 0.449 114.902 114.554 -0.169 0.000 2.940 180 T HA 0.157 4.506 4.350 -0.000 0.000 0.309 180 T C 1.638 176.009 174.700 -0.549 0.000 1.056 180 T CA -0.050 61.786 62.100 -0.440 0.000 1.137 180 T CB 1.845 70.252 68.868 -0.768 0.000 0.976 180 T HN 0.069 nan 8.240 nan 0.000 0.547 181 V N -0.180 119.472 119.914 -0.438 0.000 3.380 181 V HA 0.578 4.698 4.120 -0.000 0.000 0.277 181 V C -0.291 175.831 176.094 0.045 0.000 1.590 181 V CA -0.308 61.911 62.300 -0.135 0.000 1.019 181 V CB -0.114 31.714 31.823 0.009 0.000 0.828 181 V HN 0.642 nan 8.190 nan 0.000 0.427 182 F N 1.368 121.155 119.950 -0.272 0.000 2.588 182 F HA 0.896 5.423 4.527 -0.000 0.000 0.314 182 F C -0.622 175.128 175.800 -0.084 0.000 1.134 182 F CA -0.412 57.550 58.000 -0.065 0.000 0.961 182 F CB 1.765 40.721 39.000 -0.074 0.000 1.239 182 F HN 0.241 nan 8.300 nan 0.000 0.448 183 A N 6.310 128.796 122.820 -0.558 0.000 2.486 183 A HA 0.792 5.112 4.320 -0.000 0.000 0.300 183 A C -2.387 174.895 177.584 -0.504 0.000 1.048 183 A CA -0.673 51.116 52.037 -0.413 0.000 0.696 183 A CB 1.720 20.784 19.000 0.108 0.000 1.278 183 A HN 0.985 nan 8.150 nan 0.000 0.405 184 L N 2.782 123.755 121.223 -0.417 0.000 2.409 184 L HA 0.808 5.148 4.340 -0.000 0.000 0.272 184 L C -1.594 175.296 176.870 0.032 0.000 0.980 184 L CA -0.630 54.089 54.840 -0.201 0.000 0.826 184 L CB 1.899 43.801 42.059 -0.261 0.000 1.268 184 L HN 0.536 nan 8.230 nan 0.000 0.407 185 V N 3.652 123.709 119.914 0.239 0.000 2.876 185 V HA 0.559 4.679 4.120 -0.000 0.000 0.312 185 V C -0.921 175.401 176.094 0.379 0.000 1.085 185 V CA -0.758 61.771 62.300 0.381 0.000 0.945 185 V CB 2.285 34.426 31.823 0.530 0.000 1.017 185 V HN 0.838 nan 8.190 nan 0.000 0.428 186 N N 1.621 120.546 118.700 0.376 0.000 2.225 186 N HA 0.710 5.450 4.740 -0.000 0.000 0.298 186 N C -1.508 174.238 175.510 0.393 0.000 1.076 186 N CA -0.577 52.671 53.050 0.330 0.000 0.792 186 N CB 2.225 40.842 38.487 0.216 0.000 1.498 186 N HN 0.733 nan 8.380 nan 0.000 0.474 187 Y N 1.987 122.459 120.300 0.286 0.000 2.553 187 Y HA 0.733 5.283 4.550 0.000 0.000 0.347 187 Y C -1.660 174.377 175.900 0.229 0.000 1.019 187 Y CA -1.225 57.014 58.100 0.232 0.000 1.032 187 Y CB 1.060 39.603 38.460 0.138 0.000 1.284 187 Y HN 0.528 nan 8.280 nan 0.000 0.466 188 I N 4.249 125.057 120.570 0.397 0.000 2.686 188 I HA 0.669 4.839 4.170 -0.000 0.000 0.295 188 I C -2.269 174.201 176.117 0.588 0.000 1.114 188 I CA -1.045 60.457 61.300 0.337 0.000 1.038 188 I CB 1.961 40.072 38.000 0.185 0.000 1.238 188 I HN 0.757 nan 8.210 nan 0.000 0.420 189 F N 8.022 128.204 119.950 0.386 0.000 2.569 189 F HA 0.683 5.210 4.527 0.000 0.000 0.312 189 F C -2.064 173.954 175.800 0.364 0.000 1.109 189 F CA -0.849 57.362 58.000 0.351 0.000 0.919 189 F CB 1.785 40.937 39.000 0.254 0.000 1.211 189 F HN 0.364 nan 8.300 nan 0.000 0.446 190 F N 6.060 125.536 119.950 -0.791 0.000 2.596 190 F HA 0.583 5.110 4.527 -0.000 0.000 0.311 190 F C -1.848 173.428 175.800 -0.874 0.000 1.116 190 F CA -0.546 57.095 58.000 -0.599 0.000 0.957 190 F CB 1.571 40.476 39.000 -0.158 0.000 1.250 190 F HN 0.514 nan 8.300 nan 0.000 0.444 191 K N 4.329 123.798 120.400 -1.552 0.000 2.615 191 K HA 0.668 4.988 4.320 -0.000 0.000 0.249 191 K C -1.305 174.523 176.600 -1.287 0.000 0.977 191 K CA -0.672 54.895 56.287 -1.201 0.000 0.833 191 K CB 1.739 33.895 32.500 -0.575 0.000 1.208 191 K HN 0.958 nan 8.250 nan 0.000 0.443 192 G N 2.787 110.821 108.800 -1.277 0.000 2.563 192 G HA2 0.437 4.397 3.960 -0.000 0.000 0.302 192 G HA3 0.437 4.397 3.960 -0.000 0.000 0.302 192 G C -1.365 173.340 174.900 -0.326 0.000 1.301 192 G CA -0.588 44.030 45.100 -0.804 0.000 0.965 192 G HN 0.285 nan 8.290 nan 0.000 0.480 193 K N 0.722 121.082 120.400 -0.068 0.000 2.206 193 K HA 0.207 4.527 4.320 -0.000 0.000 0.264 193 K C -0.613 176.078 176.600 0.151 0.000 0.967 193 K CA -0.480 55.794 56.287 -0.021 0.000 0.844 193 K CB 1.803 34.304 32.500 0.003 0.000 1.099 193 K HN 0.593 nan 8.250 nan 0.000 0.441 194 W N 2.024 123.422 121.300 0.164 0.000 2.223 194 W HA 0.004 4.664 4.660 -0.000 0.000 0.334 194 W C 1.422 177.943 176.519 0.003 0.000 1.334 194 W CA -0.266 57.095 57.345 0.028 0.000 1.246 194 W CB 0.447 29.902 29.460 -0.008 0.000 1.184 194 W HN 0.629 nan 8.180 nan 0.000 0.563 195 E N 1.157 121.502 120.200 0.241 0.000 2.274 195 E HA -0.111 4.239 4.350 -0.000 0.000 0.194 195 E C 0.814 177.436 176.600 0.036 0.000 0.996 195 E CA 0.751 57.217 56.400 0.110 0.000 0.840 195 E CB 0.126 29.870 29.700 0.074 0.000 0.772 195 E HN 0.179 nan 8.360 nan 0.000 0.491 196 R N 1.139 121.640 120.500 0.002 0.000 2.651 196 R HA 0.170 4.510 4.340 -0.000 0.000 0.282 196 R C -2.521 173.640 176.300 -0.232 0.000 1.565 196 R CA -1.852 54.155 56.100 -0.155 0.000 1.661 196 R CB 0.834 30.971 30.300 -0.273 0.000 1.189 196 R HN 0.026 nan 8.270 nan 0.000 0.621 197 P HA 0.046 nan 4.420 nan 0.000 0.272 197 P C -0.558 176.660 177.300 -0.137 0.000 1.230 197 P CA 0.006 63.126 63.100 0.034 0.000 0.788 197 P CB 0.759 32.564 31.700 0.175 0.000 0.949 198 F N -0.416 119.560 119.950 0.043 0.000 2.375 198 F HA 0.307 4.834 4.527 -0.000 0.000 0.317 198 F C 1.378 177.187 175.800 0.015 0.000 1.124 198 F CA -0.256 57.741 58.000 -0.006 0.000 1.050 198 F CB 0.568 39.550 39.000 -0.030 0.000 1.314 198 F HN 0.146 nan 8.300 nan 0.000 0.511 199 E N 0.560 120.888 120.200 0.214 0.000 2.145 199 E HA 0.224 4.574 4.350 -0.000 0.000 0.270 199 E C 0.678 177.328 176.600 0.084 0.000 0.906 199 E CA -0.249 56.218 56.400 0.111 0.000 0.761 199 E CB 1.929 31.666 29.700 0.062 0.000 1.116 199 E HN 0.366 nan 8.360 nan 0.000 0.408 200 V N 4.021 123.976 119.914 0.068 0.000 2.370 200 V HA -0.361 3.759 4.120 -0.000 0.000 0.252 200 V C 2.213 178.318 176.094 0.019 0.000 1.068 200 V CA 2.571 64.894 62.300 0.038 0.000 1.061 200 V CB -0.760 31.083 31.823 0.034 0.000 0.656 200 V HN 0.666 nan 8.190 nan 0.000 0.455 201 K N 0.018 120.431 120.400 0.021 0.000 2.280 201 K HA -0.165 4.155 4.320 -0.000 0.000 0.202 201 K C 1.155 177.757 176.600 0.003 0.000 1.047 201 K CA 1.811 58.105 56.287 0.011 0.000 0.942 201 K CB -0.263 32.244 32.500 0.011 0.000 0.739 201 K HN 0.382 nan 8.250 nan 0.000 0.457 202 D N 0.999 121.403 120.400 0.007 0.000 2.339 202 D HA 0.016 4.656 4.640 -0.000 0.000 0.217 202 D C -0.217 176.059 176.300 -0.040 0.000 1.050 202 D CA 0.393 54.388 54.000 -0.010 0.000 0.856 202 D CB 0.383 41.187 40.800 0.007 0.000 0.922 202 D HN 0.130 nan 8.370 nan 0.000 0.518 203 T N 1.316 115.847 114.554 -0.039 0.000 2.832 203 T HA 0.305 4.655 4.350 -0.000 0.000 0.296 203 T C 0.247 174.920 174.700 -0.044 0.000 0.968 203 T CA -0.086 61.973 62.100 -0.068 0.000 1.107 203 T CB 1.578 70.406 68.868 -0.066 0.000 0.916 203 T HN -0.045 nan 8.240 nan 0.000 0.517 204 E N 1.601 121.774 120.200 -0.046 0.000 2.293 204 E HA 0.237 4.587 4.350 -0.000 0.000 0.270 204 E C -0.717 175.882 176.600 -0.002 0.000 0.879 204 E CA -0.972 55.418 56.400 -0.017 0.000 0.756 204 E CB 1.524 31.218 29.700 -0.009 0.000 1.208 204 E HN 0.450 nan 8.360 nan 0.000 0.428 205 E N 2.388 122.594 120.200 0.009 0.000 2.415 205 E HA 0.041 4.391 4.350 -0.000 0.000 0.263 205 E C -0.533 176.089 176.600 0.037 0.000 0.995 205 E CA 0.692 57.106 56.400 0.023 0.000 0.915 205 E CB 0.616 30.330 29.700 0.022 0.000 0.951 205 E HN 0.391 nan 8.360 nan 0.000 0.449 206 E N 1.796 122.030 120.200 0.057 0.000 2.340 206 E HA 0.219 4.569 4.350 -0.000 0.000 0.273 206 E C -1.099 175.567 176.600 0.110 0.000 0.891 206 E CA -0.890 55.556 56.400 0.077 0.000 0.757 206 E CB 1.609 31.360 29.700 0.085 0.000 1.231 206 E HN 0.249 nan 8.360 nan 0.000 0.439 207 D N 1.530 121.992 120.400 0.103 0.000 2.425 207 D HA 0.220 4.860 4.640 -0.000 0.000 0.247 207 D C -0.976 175.455 176.300 0.218 0.000 1.147 207 D CA 0.639 54.704 54.000 0.108 0.000 0.879 207 D CB 0.212 41.041 40.800 0.049 0.000 1.179 207 D HN 0.242 nan 8.370 nan 0.000 0.456 208 F N 1.563 121.539 119.950 0.045 0.000 2.581 208 F HA 0.253 4.780 4.527 -0.000 0.000 0.311 208 F C -0.744 175.088 175.800 0.054 0.000 1.113 208 F CA -0.938 57.131 58.000 0.114 0.000 0.935 208 F CB 1.293 40.383 39.000 0.149 0.000 1.232 208 F HN 0.219 nan 8.300 nan 0.000 0.445 209 H N 4.963 123.462 119.070 -0.952 0.000 3.004 209 H HA 0.243 4.799 4.556 0.000 0.000 0.267 209 H C 0.959 175.633 175.328 -1.090 0.000 1.165 209 H CA 0.250 55.845 56.048 -0.755 0.000 1.450 209 H CB 1.302 30.807 29.762 -0.428 0.000 1.488 209 H HN 0.599 nan 8.280 nan 0.000 0.478 210 V N 2.881 122.503 119.914 -0.486 0.000 2.407 210 V HA -0.180 3.940 4.120 -0.000 0.000 0.248 210 V C 0.675 176.719 176.094 -0.082 0.000 1.055 210 V CA 2.076 64.286 62.300 -0.150 0.000 1.049 210 V CB -0.318 31.517 31.823 0.020 0.000 0.662 210 V HN 0.876 nan 8.190 nan 0.000 0.455 211 D N -3.556 116.807 120.400 -0.062 0.000 2.652 211 D HA 0.198 4.838 4.640 -0.000 0.000 0.285 211 D C 0.383 176.707 176.300 0.039 0.000 1.173 211 D CA -0.704 53.292 54.000 -0.007 0.000 0.981 211 D CB 0.551 41.356 40.800 0.008 0.000 1.440 211 D HN -0.051 nan 8.370 nan 0.000 0.485 212 Q N -0.920 118.891 119.800 0.018 0.000 2.443 212 Q HA 0.004 4.344 4.340 -0.000 0.000 0.213 212 Q C 0.991 177.036 176.000 0.076 0.000 0.982 212 Q CA 0.781 56.586 55.803 0.003 0.000 0.894 212 Q CB 0.153 28.881 28.738 -0.017 0.000 0.947 212 Q HN 0.325 nan 8.270 nan 0.000 0.480 213 V N -0.224 119.751 119.914 0.103 0.000 3.451 213 V HA 0.065 4.185 4.120 -0.000 0.000 0.288 213 V C -0.039 176.087 176.094 0.053 0.000 1.502 213 V CA 0.852 63.207 62.300 0.091 0.000 1.026 213 V CB 1.477 33.323 31.823 0.038 0.000 0.840 213 V HN 0.376 nan 8.190 nan 0.000 0.437 214 T N -1.081 113.475 114.554 0.004 0.000 2.909 214 T HA 0.646 4.996 4.350 -0.000 0.000 0.299 214 T C -0.322 174.209 174.700 -0.283 0.000 1.073 214 T CA 0.025 62.059 62.100 -0.111 0.000 0.999 214 T CB 1.897 70.729 68.868 -0.059 0.000 1.098 214 T HN 0.270 nan 8.240 nan 0.000 0.477 215 T N -0.547 113.806 114.554 -0.335 0.000 2.932 215 T HA 0.827 5.177 4.350 -0.000 0.000 0.289 215 T C -0.569 174.049 174.700 -0.136 0.000 1.039 215 T CA -0.728 61.150 62.100 -0.370 0.000 1.024 215 T CB 1.446 70.033 68.868 -0.468 0.000 1.090 215 T HN 0.810 nan 8.240 nan 0.000 0.496 216 V N 0.689 120.580 119.914 -0.039 0.000 3.078 216 V HA 0.568 4.688 4.120 -0.000 0.000 0.311 216 V C -0.511 175.637 176.094 0.090 0.000 1.138 216 V CA -1.330 60.995 62.300 0.042 0.000 1.007 216 V CB 2.275 34.155 31.823 0.095 0.000 1.045 216 V HN 0.942 nan 8.190 nan 0.000 0.432 217 K N 1.667 122.110 120.400 0.071 0.000 2.211 217 K HA 0.707 5.027 4.320 -0.000 0.000 0.275 217 K C -0.772 175.876 176.600 0.081 0.000 1.024 217 K CA -0.399 55.934 56.287 0.076 0.000 0.887 217 K CB 1.794 34.321 32.500 0.045 0.000 1.084 217 K HN 0.670 nan 8.250 nan 0.000 0.463 218 V N 0.470 120.439 119.914 0.092 0.000 2.864 218 V HA 0.600 4.720 4.120 -0.000 0.000 0.314 218 V C -2.627 173.489 176.094 0.037 0.000 1.073 218 V CA -2.881 59.455 62.300 0.061 0.000 0.956 218 V CB 1.683 33.537 31.823 0.052 0.000 1.023 218 V HN 0.617 nan 8.190 nan 0.000 0.435 219 P HA 0.317 nan 4.420 nan 0.000 0.276 219 P C -0.976 176.306 177.300 -0.029 0.000 1.243 219 P CA -0.040 63.055 63.100 -0.009 0.000 0.768 219 P CB 1.235 32.926 31.700 -0.015 0.000 0.856 220 M N 5.083 124.656 119.600 -0.045 0.000 2.181 220 M HA 0.383 4.863 4.480 -0.000 0.000 0.323 220 M C -0.668 175.525 176.300 -0.178 0.000 1.004 220 M CA -0.904 54.348 55.300 -0.080 0.000 0.941 220 M CB 1.153 33.748 32.600 -0.009 0.000 1.579 220 M HN 0.222 nan 8.290 nan 0.000 0.427 221 M N 4.444 123.851 119.600 -0.322 0.000 2.249 221 M HA 0.433 4.913 4.480 -0.000 0.000 0.351 221 M C -0.535 175.469 176.300 -0.493 0.000 1.180 221 M CA -0.034 54.963 55.300 -0.505 0.000 1.127 221 M CB 0.938 32.933 32.600 -1.008 0.000 1.546 221 M HN 0.522 nan 8.290 nan 0.000 0.461 222 K N 1.953 122.185 120.400 -0.280 0.000 2.469 222 K HA 0.746 5.066 4.320 -0.000 0.000 0.254 222 K C -1.093 175.557 176.600 0.082 0.000 0.939 222 K CA -0.984 55.168 56.287 -0.225 0.000 0.812 222 K CB 3.253 35.504 32.500 -0.415 0.000 1.301 222 K HN 0.611 nan 8.250 nan 0.000 0.433 223 R N 2.225 122.775 120.500 0.084 0.000 2.633 223 R HA 0.235 4.575 4.340 -0.000 0.000 0.256 223 R C -2.163 174.214 176.300 0.129 0.000 1.131 223 R CA -0.752 55.415 56.100 0.110 0.000 0.994 223 R CB 1.040 31.402 30.300 0.105 0.000 1.261 223 R HN 0.503 nan 8.270 nan 0.000 0.446 224 L N 3.911 125.173 121.223 0.065 0.000 2.282 224 L HA 0.909 5.249 4.340 -0.000 0.000 0.288 224 L C -0.237 176.630 176.870 -0.005 0.000 1.033 224 L CA 0.626 55.508 54.840 0.070 0.000 0.807 224 L CB 1.421 43.493 42.059 0.021 0.000 1.209 224 L HN 0.864 nan 8.230 nan 0.000 0.423 225 G N 3.732 112.523 108.800 -0.016 0.000 2.325 225 G HA2 0.279 4.239 3.960 -0.000 0.000 0.295 225 G HA3 0.279 4.239 3.960 -0.000 0.000 0.295 225 G C -1.607 173.104 174.900 -0.315 0.000 1.274 225 G CA -1.004 43.958 45.100 -0.230 0.000 0.857 225 G HN 0.471 nan 8.290 nan 0.000 0.499 226 M N 0.396 119.738 119.600 -0.429 0.000 2.162 226 M HA 0.730 5.210 4.480 -0.000 0.000 0.356 226 M C -1.256 174.693 176.300 -0.585 0.000 1.303 226 M CA -0.301 54.798 55.300 -0.336 0.000 1.116 226 M CB 0.002 32.464 32.600 -0.229 0.000 1.632 226 M HN 0.300 nan 8.290 nan 0.000 0.469 227 F N 1.241 121.124 119.950 -0.111 0.000 2.577 227 F HA 0.360 4.887 4.527 -0.000 0.000 0.318 227 F C 0.517 176.268 175.800 -0.082 0.000 1.065 227 F CA -0.970 56.955 58.000 -0.125 0.000 0.929 227 F CB 1.496 40.400 39.000 -0.161 0.000 1.237 227 F HN 0.528 nan 8.300 nan 0.000 0.468 228 N N 2.638 121.415 118.700 0.128 0.000 2.968 228 N HA 0.322 5.062 4.740 -0.000 0.000 0.271 228 N C -0.697 174.868 175.510 0.091 0.000 1.174 228 N CA -0.025 53.069 53.050 0.073 0.000 1.096 228 N CB 0.056 38.570 38.487 0.045 0.000 1.403 228 N HN 0.526 nan 8.380 nan 0.000 0.522 229 I N 1.246 121.883 120.570 0.111 0.000 3.204 229 I HA 0.375 4.545 4.170 -0.000 0.000 0.313 229 I C -0.730 175.499 176.117 0.187 0.000 1.082 229 I CA -0.435 60.949 61.300 0.140 0.000 1.033 229 I CB 1.352 39.418 38.000 0.109 0.000 1.304 229 I HN 0.552 nan 8.210 nan 0.000 0.536 230 Q N 2.426 122.420 119.800 0.323 0.000 3.011 230 Q HA 0.285 4.625 4.340 -0.000 0.000 0.299 230 Q C -1.741 174.402 176.000 0.239 0.000 0.891 230 Q CA -0.973 54.970 55.803 0.233 0.000 0.792 230 Q CB 1.181 29.909 28.738 -0.016 0.000 1.601 230 Q HN 0.586 nan 8.270 nan 0.000 0.462 231 H N -0.037 118.925 119.070 -0.180 0.000 2.589 231 H HA 0.607 5.163 4.556 -0.000 0.000 0.351 231 H C -1.667 173.569 175.328 -0.153 0.000 1.074 231 H CA -0.669 55.104 56.048 -0.459 0.000 1.203 231 H CB 2.062 31.091 29.762 -1.221 0.000 1.558 231 H HN 0.813 nan 8.280 nan 0.000 0.522 232 C N 6.482 125.771 119.300 -0.018 0.000 2.382 232 C HA 0.308 4.768 4.460 -0.000 0.000 0.327 232 C C 1.580 176.673 174.990 0.172 0.000 1.250 232 C CA -0.533 58.632 59.018 0.245 0.000 1.707 232 C CB 0.136 28.141 27.740 0.441 0.000 2.272 232 C HN 1.022 nan 8.230 nan 0.000 0.506 233 K N 3.261 123.773 120.400 0.187 0.000 2.044 233 K HA -0.064 4.256 4.320 -0.000 0.000 0.204 233 K C 1.672 178.342 176.600 0.117 0.000 1.049 233 K CA 1.153 57.521 56.287 0.134 0.000 0.945 233 K CB -0.190 32.356 32.500 0.077 0.000 0.724 233 K HN 0.490 nan 8.250 nan 0.000 0.440 234 K N 1.429 121.899 120.400 0.117 0.000 2.152 234 K HA -0.011 4.309 4.320 -0.000 0.000 0.206 234 K C 1.741 178.431 176.600 0.149 0.000 1.048 234 K CA 1.239 57.595 56.287 0.116 0.000 0.933 234 K CB -0.092 32.438 32.500 0.051 0.000 0.721 234 K HN 0.286 nan 8.250 nan 0.000 0.447 235 L N -0.574 120.695 121.223 0.078 0.000 2.554 235 L HA 0.144 4.484 4.340 -0.000 0.000 0.225 235 L C 0.090 177.039 176.870 0.131 0.000 1.104 235 L CA -0.020 54.846 54.840 0.044 0.000 0.866 235 L CB 0.043 42.056 42.059 -0.077 0.000 1.047 235 L HN -0.018 nan 8.230 nan 0.000 0.468 236 S N 1.048 116.797 115.700 0.082 0.000 3.628 236 S HA -0.141 4.329 4.470 -0.000 0.000 0.373 236 S C 0.102 174.676 174.600 -0.045 0.000 0.968 236 S CA 0.679 58.895 58.200 0.025 0.000 1.215 236 S CB -1.330 61.840 63.200 -0.050 0.000 0.912 236 S HN 0.751 nan 8.310 nan 0.000 0.495 237 S N -1.642 113.878 115.700 -0.300 0.000 2.627 237 S HA 0.675 5.145 4.470 -0.000 0.000 0.268 237 S C -1.216 173.068 174.600 -0.527 0.000 1.130 237 S CA -1.326 56.716 58.200 -0.264 0.000 0.819 237 S CB 0.552 63.789 63.200 0.063 0.000 1.100 237 S HN 0.347 nan 8.310 nan 0.000 0.465 238 W N 0.806 121.997 121.300 -0.182 0.000 2.376 238 W HA 0.637 5.297 4.660 -0.000 0.000 0.322 238 W C -0.561 175.951 176.519 -0.012 0.000 1.160 238 W CA -0.400 56.890 57.345 -0.091 0.000 1.218 238 W CB 1.441 30.894 29.460 -0.012 0.000 1.205 238 W HN 0.556 nan 8.180 nan 0.000 0.559 239 V N 5.409 125.486 119.914 0.272 0.000 2.409 239 V HA 0.414 4.534 4.120 -0.000 0.000 0.291 239 V C -0.740 175.406 176.094 0.086 0.000 1.020 239 V CA -1.017 61.346 62.300 0.105 0.000 0.848 239 V CB 1.064 33.047 31.823 0.267 0.000 0.990 239 V HN 0.357 nan 8.190 nan 0.000 0.430 240 L N 6.658 127.865 121.223 -0.027 0.000 2.346 240 L HA 0.751 5.091 4.340 -0.000 0.000 0.274 240 L C -1.067 175.818 176.870 0.024 0.000 1.007 240 L CA -0.141 54.691 54.840 -0.013 0.000 0.818 240 L CB 1.740 43.723 42.059 -0.126 0.000 1.284 240 L HN 0.557 nan 8.230 nan 0.000 0.424 241 L N 5.613 126.864 121.223 0.047 0.000 2.313 241 L HA 0.555 4.895 4.340 -0.000 0.000 0.283 241 L C -0.617 176.295 176.870 0.070 0.000 1.013 241 L CA -0.519 54.364 54.840 0.071 0.000 0.816 241 L CB 1.702 43.800 42.059 0.065 0.000 1.236 241 L HN 0.555 nan 8.230 nan 0.000 0.419 242 M N 3.644 123.306 119.600 0.104 0.000 2.023 242 M HA 0.357 4.837 4.480 -0.000 0.000 0.325 242 M C -0.503 175.828 176.300 0.053 0.000 0.963 242 M CA -0.501 54.814 55.300 0.026 0.000 0.928 242 M CB 1.399 33.961 32.600 -0.064 0.000 1.429 242 M HN 0.494 nan 8.290 nan 0.000 0.404 243 K N 1.977 122.410 120.400 0.056 0.000 2.326 243 K HA 0.325 4.645 4.320 -0.000 0.000 0.275 243 K C -1.083 175.577 176.600 0.100 0.000 1.018 243 K CA 0.006 56.346 56.287 0.089 0.000 0.962 243 K CB 0.803 33.361 32.500 0.097 0.000 0.953 243 K HN 0.321 nan 8.250 nan 0.000 0.475 244 Y N 1.304 121.768 120.300 0.274 0.000 2.361 244 Y HA 0.222 4.772 4.550 -0.000 0.000 0.332 244 Y C 0.420 176.404 175.900 0.141 0.000 1.101 244 Y CA -0.812 57.417 58.100 0.216 0.000 1.137 244 Y CB 0.900 39.490 38.460 0.217 0.000 1.207 244 Y HN 0.330 nan 8.280 nan 0.000 0.463 245 L N 3.375 124.749 121.223 0.253 0.000 2.513 245 L HA 0.336 4.676 4.340 -0.000 0.000 0.272 245 L C 0.808 177.766 176.870 0.147 0.000 1.187 245 L CA 0.982 55.914 54.840 0.153 0.000 0.895 245 L CB -0.442 41.677 42.059 0.099 0.000 1.147 245 L HN 0.985 nan 8.230 nan 0.000 0.483 246 G N 2.950 111.827 108.800 0.128 0.000 2.331 246 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.479 246 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.479 246 G C -0.054 174.929 174.900 0.137 0.000 1.262 246 G CA -0.086 45.083 45.100 0.114 0.000 1.029 246 G HN 0.803 nan 8.290 nan 0.000 0.487 247 N N 0.707 119.484 118.700 0.129 0.000 2.362 247 N HA 0.421 5.161 4.740 -0.000 0.000 0.211 247 N C 0.496 176.102 175.510 0.159 0.000 1.170 247 N CA 0.494 53.619 53.050 0.124 0.000 0.828 247 N CB 0.604 39.146 38.487 0.092 0.000 1.034 247 N HN 1.092 nan 8.380 nan 0.000 0.475 248 A N 0.309 123.271 122.820 0.236 0.000 2.350 248 A HA 0.791 5.111 4.320 -0.000 0.000 0.318 248 A C -0.416 177.414 177.584 0.410 0.000 1.132 248 A CA -0.405 51.811 52.037 0.299 0.000 0.811 248 A CB 1.730 20.949 19.000 0.365 0.000 1.313 248 A HN 0.201 nan 8.150 nan 0.000 0.454 249 T N -0.091 114.703 114.554 0.400 0.000 2.889 249 T HA 0.693 5.043 4.350 -0.000 0.000 0.315 249 T C -0.823 174.078 174.700 0.335 0.000 1.291 249 T CA 0.115 62.417 62.100 0.336 0.000 1.028 249 T CB 1.819 70.799 68.868 0.186 0.000 1.235 249 T HN 1.576 nan 8.240 nan 0.000 0.491 250 A N 2.298 125.261 122.820 0.237 0.000 2.343 250 A HA 0.851 5.171 4.320 -0.000 0.000 0.308 250 A C -0.818 176.799 177.584 0.054 0.000 1.092 250 A CA -0.706 51.441 52.037 0.184 0.000 0.751 250 A CB 0.496 19.681 19.000 0.309 0.000 1.203 250 A HN 0.802 nan 8.150 nan 0.000 0.452 251 I N 2.147 122.681 120.570 -0.060 0.000 2.378 251 I HA 0.464 4.634 4.170 -0.000 0.000 0.291 251 I C -1.151 174.763 176.117 -0.338 0.000 0.992 251 I CA -0.340 60.875 61.300 -0.142 0.000 1.154 251 I CB 1.462 39.383 38.000 -0.131 0.000 1.315 251 I HN 0.531 nan 8.210 nan 0.000 0.448 252 F N 5.257 125.024 119.950 -0.305 0.000 2.480 252 F HA 0.574 5.101 4.527 -0.000 0.000 0.329 252 F C -0.466 175.053 175.800 -0.469 0.000 1.091 252 F CA -0.585 57.306 58.000 -0.182 0.000 0.972 252 F CB 1.463 40.348 39.000 -0.191 0.000 1.150 252 F HN 0.153 nan 8.300 nan 0.000 0.467 253 F N 3.460 123.607 119.950 0.329 0.000 2.499 253 F HA 0.466 4.993 4.527 -0.000 0.000 0.333 253 F C -0.715 175.252 175.800 0.278 0.000 1.138 253 F CA -0.824 57.308 58.000 0.220 0.000 0.945 253 F CB 1.602 40.663 39.000 0.101 0.000 1.181 253 F HN 0.147 nan 8.300 nan 0.000 0.435 254 L N 7.475 128.915 121.223 0.361 0.000 2.297 254 L HA 0.568 4.908 4.340 -0.000 0.000 0.277 254 L C -2.368 174.676 176.870 0.290 0.000 1.040 254 L CA -2.459 52.579 54.840 0.330 0.000 0.867 254 L CB 0.500 42.696 42.059 0.229 0.000 1.244 254 L HN 0.184 nan 8.230 nan 0.000 0.433 255 P HA 0.048 nan 4.420 nan 0.000 0.268 255 P C -0.794 176.617 177.300 0.185 0.000 1.205 255 P CA -0.088 63.128 63.100 0.193 0.000 0.771 255 P CB 0.811 32.622 31.700 0.184 0.000 0.858 256 D N 1.227 121.719 120.400 0.152 0.000 2.363 256 D HA 0.020 4.660 4.640 -0.000 0.000 0.240 256 D C 0.769 177.143 176.300 0.124 0.000 1.236 256 D CA 0.070 54.166 54.000 0.160 0.000 0.927 256 D CB 0.364 41.251 40.800 0.144 0.000 1.150 256 D HN 0.391 nan 8.370 nan 0.000 0.458 257 E N 0.042 120.308 120.200 0.110 0.000 2.765 257 E HA -0.009 4.341 4.350 -0.000 0.000 0.256 257 E C 0.975 177.619 176.600 0.072 0.000 0.935 257 E CA 0.646 57.099 56.400 0.088 0.000 0.954 257 E CB 0.220 29.963 29.700 0.070 0.000 0.908 257 E HN 0.679 nan 8.360 nan 0.000 0.500 258 G N 4.975 113.822 108.800 0.077 0.000 2.180 258 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.263 258 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.263 258 G C 0.641 175.582 174.900 0.068 0.000 0.989 258 G CA 0.715 45.855 45.100 0.067 0.000 0.692 258 G HN 0.475 nan 8.290 nan 0.000 0.526 259 K N -0.232 120.218 120.400 0.083 0.000 2.455 259 K HA 0.387 4.707 4.320 -0.000 0.000 0.206 259 K C 1.991 178.674 176.600 0.137 0.000 1.027 259 K CA -0.445 55.897 56.287 0.092 0.000 1.113 259 K CB 0.210 32.740 32.500 0.050 0.000 0.850 259 K HN 0.447 nan 8.250 nan 0.000 0.503 260 L N 1.095 122.396 121.223 0.129 0.000 1.994 260 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 260 L C 1.801 178.743 176.870 0.119 0.000 1.071 260 L CA 1.692 56.613 54.840 0.135 0.000 0.745 260 L CB 0.044 42.184 42.059 0.136 0.000 0.892 260 L HN 0.246 nan 8.230 nan 0.000 0.431 261 Q N -1.075 118.790 119.800 0.109 0.000 2.181 261 Q HA -0.277 4.063 4.340 -0.000 0.000 0.205 261 Q C 1.997 178.043 176.000 0.076 0.000 0.980 261 Q CA 1.572 57.427 55.803 0.086 0.000 0.862 261 Q CB -0.925 27.859 28.738 0.077 0.000 0.905 261 Q HN 0.675 nan 8.270 nan 0.000 0.429 262 H N 0.739 119.817 119.070 0.014 0.000 2.357 262 H HA -0.061 4.495 4.556 -0.000 0.000 0.301 262 H C 2.031 177.334 175.328 -0.042 0.000 1.082 262 H CA 1.248 57.290 56.048 -0.009 0.000 1.342 262 H CB 0.162 29.924 29.762 -0.001 0.000 1.389 262 H HN 0.221 nan 8.280 nan 0.000 0.511 263 L N 1.688 122.938 121.223 0.044 0.000 2.017 263 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 263 L C 2.201 178.954 176.870 -0.194 0.000 1.073 263 L CA 1.800 56.597 54.840 -0.072 0.000 0.745 263 L CB -0.693 41.363 42.059 -0.005 0.000 0.894 263 L HN 0.235 nan 8.230 nan 0.000 0.432 264 E N -0.352 119.799 120.200 -0.082 0.000 2.085 264 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 264 E C 1.747 178.289 176.600 -0.097 0.000 0.994 264 E CA 1.451 57.838 56.400 -0.021 0.000 0.801 264 E CB -0.344 29.455 29.700 0.166 0.000 0.743 264 E HN 0.613 nan 8.360 nan 0.000 0.453 265 N N 0.378 119.001 118.700 -0.129 0.000 2.463 265 N HA -0.092 4.648 4.740 -0.000 0.000 0.181 265 N C 1.394 176.758 175.510 -0.244 0.000 1.078 265 N CA 0.509 53.468 53.050 -0.152 0.000 0.902 265 N CB 0.339 38.757 38.487 -0.115 0.000 0.970 265 N HN 0.092 nan 8.380 nan 0.000 0.451 266 E N 0.539 120.536 120.200 -0.338 0.000 2.415 266 E HA 0.187 4.537 4.350 -0.000 0.000 0.197 266 E C 0.195 176.542 176.600 -0.423 0.000 1.007 266 E CA -0.114 56.072 56.400 -0.358 0.000 0.890 266 E CB 0.210 29.670 29.700 -0.400 0.000 0.891 266 E HN 0.174 nan 8.360 nan 0.000 0.496 267 L N 1.754 122.632 121.223 -0.575 0.000 2.540 267 L HA 0.104 4.444 4.340 -0.000 0.000 0.276 267 L C 0.248 176.479 176.870 -1.065 0.000 1.212 267 L CA 0.677 54.977 54.840 -0.900 0.000 0.893 267 L CB 0.268 41.617 42.059 -1.183 0.000 1.138 267 L HN 0.175 nan 8.230 nan 0.000 0.491 268 T N -2.106 111.954 114.554 -0.823 0.000 2.843 268 T HA 0.161 4.511 4.350 -0.000 0.000 0.302 268 T C 0.699 175.423 174.700 0.039 0.000 1.232 268 T CA -0.754 61.142 62.100 -0.340 0.000 1.009 268 T CB 1.306 70.110 68.868 -0.106 0.000 1.254 268 T HN 0.587 nan 8.240 nan 0.000 0.504 269 H N 1.100 120.373 119.070 0.339 0.000 2.319 269 H HA -0.131 4.425 4.556 -0.000 0.000 0.297 269 H C 1.023 176.415 175.328 0.106 0.000 1.097 269 H CA 2.595 58.792 56.048 0.249 0.000 1.285 269 H CB -0.210 29.640 29.762 0.147 0.000 1.368 269 H HN 0.712 nan 8.280 nan 0.000 0.495 270 D N 0.812 121.340 120.400 0.213 0.000 2.104 270 D HA -0.145 4.495 4.640 -0.000 0.000 0.194 270 D C 2.594 178.900 176.300 0.009 0.000 0.994 270 D CA 1.214 55.292 54.000 0.130 0.000 0.830 270 D CB -0.311 40.572 40.800 0.137 0.000 0.959 270 D HN 0.471 nan 8.370 nan 0.000 0.452 271 I N 0.636 121.172 120.570 -0.056 0.000 2.151 271 I HA -0.290 3.880 4.170 -0.000 0.000 0.243 271 I C 2.277 178.293 176.117 -0.169 0.000 1.080 271 I CA 0.793 62.003 61.300 -0.149 0.000 1.339 271 I CB -0.223 37.591 38.000 -0.311 0.000 1.039 271 I HN -0.067 nan 8.210 nan 0.000 0.409 272 I N 0.589 121.069 120.570 -0.150 0.000 2.335 272 I HA -0.260 3.910 4.170 -0.000 0.000 0.251 272 I C 2.534 178.664 176.117 0.021 0.000 1.129 272 I CA 1.729 63.002 61.300 -0.045 0.000 1.402 272 I CB -0.853 37.146 38.000 -0.001 0.000 1.069 272 I HN 0.194 nan 8.210 nan 0.000 0.424 273 T N -0.262 114.258 114.554 -0.056 0.000 2.777 273 T HA -0.221 4.129 4.350 -0.000 0.000 0.266 273 T C 1.959 176.731 174.700 0.120 0.000 1.040 273 T CA 1.294 63.392 62.100 -0.003 0.000 1.141 273 T CB -0.179 68.673 68.868 -0.026 0.000 0.868 273 T HN 0.298 nan 8.240 nan 0.000 0.444 274 K N -0.205 120.312 120.400 0.195 0.000 2.360 274 K HA -0.029 4.291 4.320 -0.000 0.000 0.201 274 K C 1.161 177.975 176.600 0.357 0.000 1.046 274 K CA 0.966 57.414 56.287 0.269 0.000 0.945 274 K CB -0.090 32.606 32.500 0.326 0.000 0.750 274 K HN 0.260 nan 8.250 nan 0.000 0.464 275 F N -0.340 119.626 119.950 0.026 0.000 2.714 275 F HA 0.100 4.627 4.527 -0.000 0.000 0.294 275 F C 1.296 177.111 175.800 0.026 0.000 1.120 275 F CA -0.062 57.957 58.000 0.032 0.000 1.398 275 F CB 0.099 39.129 39.000 0.049 0.000 1.120 275 F HN -0.061 nan 8.300 nan 0.000 0.589 276 L N 0.139 121.481 121.223 0.198 0.000 2.478 276 L HA -0.025 4.315 4.340 -0.000 0.000 0.223 276 L C 1.355 178.272 176.870 0.078 0.000 1.140 276 L CA 1.045 55.955 54.840 0.117 0.000 0.842 276 L CB -0.839 41.274 42.059 0.090 0.000 0.953 276 L HN 0.200 nan 8.230 nan 0.000 0.452 277 E N -1.523 118.719 120.200 0.069 0.000 2.830 277 E HA 0.171 4.521 4.350 -0.000 0.000 0.225 277 E C -0.095 176.510 176.600 0.009 0.000 1.109 277 E CA -0.195 56.229 56.400 0.040 0.000 1.392 277 E CB -0.303 29.423 29.700 0.043 0.000 1.349 277 E HN 0.215 nan 8.360 nan 0.000 0.433 278 N N 1.275 119.974 118.700 -0.001 0.000 2.540 278 N HA 0.064 4.804 4.740 -0.000 0.000 0.275 278 N C -0.661 174.840 175.510 -0.014 0.000 1.053 278 N CA -0.406 52.623 53.050 -0.036 0.000 0.876 278 N CB 1.559 39.986 38.487 -0.102 0.000 1.284 278 N HN 0.072 nan 8.380 nan 0.000 0.518 279 E N 1.910 122.104 120.200 -0.010 0.000 2.370 279 E HA 0.138 4.488 4.350 -0.000 0.000 0.194 279 E C -0.936 175.658 176.600 -0.010 0.000 1.057 279 E CA -0.209 56.188 56.400 -0.004 0.000 1.011 279 E CB -0.153 29.546 29.700 -0.001 0.000 1.132 279 E HN 0.496 nan 8.360 nan 0.000 0.450 280 D N 1.236 121.628 120.400 -0.013 0.000 2.347 280 D HA 0.183 4.823 4.640 -0.000 0.000 0.235 280 D C -0.160 176.142 176.300 0.004 0.000 1.149 280 D CA -0.044 53.951 54.000 -0.009 0.000 0.850 280 D CB 0.724 41.515 40.800 -0.014 0.000 1.061 280 D HN 0.092 nan 8.370 nan 0.000 0.487 281 R N 1.870 122.368 120.500 -0.002 0.000 2.514 281 R HA 0.585 4.925 4.340 -0.000 0.000 0.301 281 R C 0.399 176.699 176.300 0.001 0.000 0.962 281 R CA -0.861 55.239 56.100 0.000 0.000 0.882 281 R CB 2.412 32.691 30.300 -0.035 0.000 1.143 281 R HN 0.441 nan 8.270 nan 0.000 0.452 282 R N -0.263 120.251 120.500 0.023 0.000 2.912 282 R HA 0.482 4.822 4.340 -0.000 0.000 0.262 282 R C -0.729 175.582 176.300 0.019 0.000 1.057 282 R CA -0.783 55.328 56.100 0.020 0.000 0.981 282 R CB 1.616 31.942 30.300 0.044 0.000 1.201 282 R HN 0.422 nan 8.270 nan 0.000 0.484 283 S N -0.200 115.503 115.700 0.004 0.000 2.576 283 S HA 0.639 5.109 4.470 -0.000 0.000 0.276 283 S C -0.741 173.886 174.600 0.044 0.000 1.339 283 S CA 0.429 58.632 58.200 0.005 0.000 1.039 283 S CB 0.578 63.769 63.200 -0.014 0.000 0.902 283 S HN 0.822 nan 8.310 nan 0.000 0.516 284 A N 2.523 125.406 122.820 0.104 0.000 2.569 284 A HA 0.568 4.888 4.320 -0.000 0.000 0.292 284 A C -0.805 176.849 177.584 0.116 0.000 1.032 284 A CA -0.557 51.520 52.037 0.067 0.000 0.669 284 A CB 0.852 19.854 19.000 0.004 0.000 1.290 284 A HN 0.829 nan 8.150 nan 0.000 0.422 285 S N 0.683 116.386 115.700 0.005 0.000 2.461 285 S HA 0.536 5.006 4.470 -0.000 0.000 0.322 285 S C -0.684 173.889 174.600 -0.044 0.000 1.063 285 S CA -0.423 57.796 58.200 0.033 0.000 1.120 285 S CB -0.190 63.050 63.200 0.067 0.000 0.968 285 S HN 1.385 nan 8.310 nan 0.000 0.467 286 L N 5.823 126.944 121.223 -0.171 0.000 2.305 286 L HA 0.551 4.891 4.340 -0.000 0.000 0.281 286 L C -1.028 175.748 176.870 -0.157 0.000 1.085 286 L CA 0.256 54.891 54.840 -0.343 0.000 0.813 286 L CB 0.633 42.203 42.059 -0.816 0.000 1.157 286 L HN 0.711 nan 8.230 nan 0.000 0.436 287 H N 5.018 123.929 119.070 -0.264 0.000 2.762 287 H HA 0.634 5.190 4.556 -0.000 0.000 0.310 287 H C -1.263 173.881 175.328 -0.308 0.000 1.004 287 H CA -0.302 55.608 56.048 -0.229 0.000 1.267 287 H CB 1.450 31.098 29.762 -0.192 0.000 1.437 287 H HN 0.524 nan 8.280 nan 0.000 0.498 288 L N 6.427 127.460 121.223 -0.316 0.000 2.381 288 L HA 0.523 4.863 4.340 -0.000 0.000 0.274 288 L C -2.652 174.050 176.870 -0.280 0.000 0.988 288 L CA -2.070 52.555 54.840 -0.358 0.000 0.824 288 L CB 1.873 43.625 42.059 -0.510 0.000 1.263 288 L HN 0.380 nan 8.230 nan 0.000 0.410 289 P HA 0.105 nan 4.420 nan 0.000 0.274 289 P C -1.180 176.102 177.300 -0.029 0.000 1.231 289 P CA -0.420 62.667 63.100 -0.021 0.000 0.790 289 P CB 0.760 32.527 31.700 0.111 0.000 0.951 290 K N 2.611 122.986 120.400 -0.041 0.000 2.379 290 K HA 0.308 4.628 4.320 -0.000 0.000 0.284 290 K C 0.012 176.625 176.600 0.022 0.000 1.044 290 K CA -0.089 56.188 56.287 -0.017 0.000 0.974 290 K CB 0.122 32.609 32.500 -0.022 0.000 0.962 290 K HN 0.497 nan 8.250 nan 0.000 0.474 291 L N 1.067 122.319 121.223 0.049 0.000 2.354 291 L HA 0.363 4.703 4.340 -0.000 0.000 0.264 291 L C 0.014 176.904 176.870 0.035 0.000 1.008 291 L CA -0.746 54.123 54.840 0.048 0.000 0.819 291 L CB 2.101 44.210 42.059 0.084 0.000 1.339 291 L HN 0.499 nan 8.230 nan 0.000 0.420 292 S N 3.003 118.717 115.700 0.024 0.000 2.381 292 S HA 0.527 4.997 4.470 -0.000 0.000 0.193 292 S C -0.783 173.831 174.600 0.024 0.000 1.287 292 S CA -0.630 57.582 58.200 0.020 0.000 1.199 292 S CB 0.147 63.355 63.200 0.014 0.000 1.214 292 S HN 0.504 nan 8.310 nan 0.000 0.444 293 I N 1.703 122.297 120.570 0.039 0.000 2.982 293 I HA 0.945 5.115 4.170 -0.000 0.000 0.312 293 I C -0.118 176.041 176.117 0.070 0.000 1.041 293 I CA -0.687 60.648 61.300 0.059 0.000 1.053 293 I CB 2.168 40.229 38.000 0.102 0.000 1.248 293 I HN 0.502 nan 8.210 nan 0.000 0.471 294 T N -0.210 114.390 114.554 0.076 0.000 2.816 294 T HA 0.832 5.182 4.350 -0.000 0.000 0.299 294 T C -0.540 174.211 174.700 0.084 0.000 1.230 294 T CA -0.549 61.595 62.100 0.073 0.000 1.007 294 T CB 1.505 70.389 68.868 0.027 0.000 1.289 294 T HN 1.277 nan 8.240 nan 0.000 0.508 295 G N 0.875 109.711 108.800 0.061 0.000 2.734 295 G HA2 0.586 4.546 3.960 -0.000 0.000 0.293 295 G HA3 0.586 4.546 3.960 -0.000 0.000 0.293 295 G C -0.787 173.968 174.900 -0.242 0.000 1.422 295 G CA -0.349 44.725 45.100 -0.044 0.000 1.177 295 G HN 1.212 nan 8.290 nan 0.000 0.565 296 T N -0.538 113.637 114.554 -0.632 0.000 2.848 296 T HA 0.768 5.118 4.350 -0.000 0.000 0.285 296 T C -1.274 173.004 174.700 -0.704 0.000 0.995 296 T CA -0.815 61.038 62.100 -0.411 0.000 0.970 296 T CB 1.376 70.124 68.868 -0.199 0.000 0.976 296 T HN 0.505 nan 8.240 nan 0.000 0.441 297 Y N 0.510 120.889 120.300 0.132 0.000 2.470 297 Y HA 0.488 5.038 4.550 0.000 0.000 0.341 297 Y C -0.533 175.427 175.900 0.100 0.000 1.021 297 Y CA -1.321 56.834 58.100 0.091 0.000 1.025 297 Y CB 1.797 40.293 38.460 0.060 0.000 1.266 297 Y HN 0.704 nan 8.280 nan 0.000 0.448 298 D N 3.010 123.521 120.400 0.186 0.000 2.393 298 D HA 0.207 4.847 4.640 -0.000 0.000 0.232 298 D C 0.338 176.684 176.300 0.077 0.000 1.192 298 D CA 0.099 54.176 54.000 0.128 0.000 0.882 298 D CB 0.833 41.672 40.800 0.066 0.000 1.038 298 D HN 0.672 nan 8.370 nan 0.000 0.499 299 L N 3.473 124.761 121.223 0.108 0.000 2.622 299 L HA -0.017 4.323 4.340 -0.000 0.000 0.233 299 L C 2.267 179.003 176.870 -0.223 0.000 1.156 299 L CA 0.259 55.103 54.840 0.008 0.000 0.866 299 L CB -0.215 41.926 42.059 0.137 0.000 0.980 299 L HN 0.440 nan 8.230 nan 0.000 0.448 300 K N 0.851 120.996 120.400 -0.426 0.000 1.991 300 K HA -0.222 4.098 4.320 -0.000 0.000 0.212 300 K C 2.370 178.598 176.600 -0.620 0.000 1.049 300 K CA 2.141 57.776 56.287 -1.088 0.000 0.932 300 K CB -0.030 31.965 32.500 -0.842 0.000 0.717 300 K HN 0.343 nan 8.250 nan 0.000 0.441 301 S N 0.193 115.698 115.700 -0.324 0.000 2.355 301 S HA -0.119 4.351 4.470 -0.000 0.000 0.222 301 S C 2.133 176.629 174.600 -0.173 0.000 1.031 301 S CA 1.402 59.483 58.200 -0.199 0.000 0.993 301 S CB -0.778 62.351 63.200 -0.118 0.000 0.859 301 S HN 0.158 nan 8.310 nan 0.000 0.453 302 V N 2.542 122.350 119.914 -0.176 0.000 2.287 302 V HA -0.130 3.990 4.120 -0.000 0.000 0.248 302 V C 2.533 178.516 176.094 -0.184 0.000 1.053 302 V CA 1.796 63.985 62.300 -0.185 0.000 1.027 302 V CB -0.977 30.709 31.823 -0.228 0.000 0.646 302 V HN 0.436 nan 8.190 nan 0.000 0.447 303 L N 0.432 121.539 121.223 -0.194 0.000 2.217 303 L HA 0.003 4.343 4.340 -0.000 0.000 0.211 303 L C 2.602 179.422 176.870 -0.084 0.000 1.107 303 L CA 1.210 55.967 54.840 -0.139 0.000 0.783 303 L CB -0.998 40.979 42.059 -0.136 0.000 0.919 303 L HN 0.477 nan 8.230 nan 0.000 0.442 304 G N -0.737 107.986 108.800 -0.129 0.000 2.418 304 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.217 304 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.217 304 G C 1.430 176.305 174.900 -0.041 0.000 1.158 304 G CA 0.266 45.326 45.100 -0.065 0.000 0.771 304 G HN 0.246 nan 8.290 nan 0.000 0.545 305 Q N -0.405 119.357 119.800 -0.062 0.000 2.561 305 Q HA 0.169 4.509 4.340 -0.000 0.000 0.217 305 Q C 2.023 178.004 176.000 -0.032 0.000 0.980 305 Q CA 0.515 56.294 55.803 -0.039 0.000 0.927 305 Q CB -0.149 28.564 28.738 -0.041 0.000 0.980 305 Q HN 0.519 nan 8.270 nan 0.000 0.525 306 L N -2.761 118.443 121.223 -0.032 0.000 2.766 306 L HA 0.329 4.669 4.340 -0.000 0.000 0.242 306 L C 1.046 177.923 176.870 0.012 0.000 1.136 306 L CA 0.430 55.264 54.840 -0.010 0.000 0.933 306 L CB 0.450 42.507 42.059 -0.003 0.000 1.241 306 L HN 0.331 nan 8.230 nan 0.000 0.522 307 G N 0.847 109.655 108.800 0.014 0.000 2.238 307 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 307 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 307 G C 0.296 175.224 174.900 0.047 0.000 0.996 307 G CA -0.452 44.665 45.100 0.028 0.000 0.632 307 G HN 0.199 nan 8.290 nan 0.000 0.503 308 I N 3.223 123.829 120.570 0.059 0.000 2.278 308 I HA 0.365 4.535 4.170 -0.000 0.000 0.296 308 I C 1.516 177.757 176.117 0.207 0.000 1.121 308 I CA 0.744 62.112 61.300 0.114 0.000 1.267 308 I CB 0.756 38.821 38.000 0.109 0.000 1.447 308 I HN 0.304 nan 8.210 nan 0.000 0.509 309 T N 0.291 114.951 114.554 0.177 0.000 3.010 309 T HA 0.066 4.416 4.350 -0.000 0.000 0.252 309 T C 1.598 176.413 174.700 0.191 0.000 0.963 309 T CA -0.293 61.930 62.100 0.205 0.000 0.952 309 T CB 0.121 69.051 68.868 0.103 0.000 1.182 309 T HN 0.280 nan 8.240 nan 0.000 0.495 310 K N 1.748 122.217 120.400 0.116 0.000 2.032 310 K HA 0.048 4.367 4.320 -0.000 0.000 0.209 310 K C 2.130 178.757 176.600 0.045 0.000 1.048 310 K CA 1.617 57.946 56.287 0.070 0.000 0.927 310 K CB -1.084 31.442 32.500 0.044 0.000 0.712 310 K HN 0.208 nan 8.250 nan 0.000 0.441 311 V N 0.067 119.983 119.914 0.003 0.000 2.688 311 V HA -0.149 3.971 4.120 -0.000 0.000 0.256 311 V C 1.100 177.077 176.094 -0.196 0.000 1.084 311 V CA 1.567 63.789 62.300 -0.128 0.000 1.103 311 V CB -0.429 31.266 31.823 -0.214 0.000 0.688 311 V HN 0.321 nan 8.190 nan 0.000 0.480 312 F N 0.368 120.346 119.950 0.047 0.000 2.765 312 F HA 0.285 4.812 4.527 -0.000 0.000 0.302 312 F C 1.370 177.183 175.800 0.022 0.000 1.111 312 F CA 0.417 58.443 58.000 0.042 0.000 1.359 312 F CB -0.121 38.911 39.000 0.053 0.000 1.097 312 F HN 0.299 nan 8.300 nan 0.000 0.577 313 S N -1.441 114.341 115.700 0.138 0.000 2.786 313 S HA 0.306 4.776 4.470 -0.000 0.000 0.307 313 S C 0.969 175.592 174.600 0.039 0.000 1.121 313 S CA -0.735 57.517 58.200 0.086 0.000 0.975 313 S CB 1.053 64.295 63.200 0.069 0.000 1.220 313 S HN 0.012 nan 8.310 nan 0.000 0.550 314 N N 0.437 119.153 118.700 0.026 0.000 2.396 314 N HA 0.046 4.786 4.740 -0.000 0.000 0.180 314 N C 1.462 176.969 175.510 -0.005 0.000 1.028 314 N CA 1.065 54.118 53.050 0.006 0.000 0.893 314 N CB -0.600 37.890 38.487 0.006 0.000 0.967 314 N HN 0.859 nan 8.380 nan 0.000 0.440 315 G N -0.148 108.654 108.800 0.003 0.000 3.210 315 G HA2 0.252 4.212 3.960 -0.000 0.000 0.220 315 G HA3 0.252 4.212 3.960 -0.000 0.000 0.220 315 G C 0.266 175.159 174.900 -0.013 0.000 1.200 315 G CA -0.081 45.016 45.100 -0.005 0.000 0.834 315 G HN 0.292 nan 8.290 nan 0.000 0.524 316 A N 0.664 123.471 122.820 -0.022 0.000 2.492 316 A HA 0.386 4.706 4.320 -0.000 0.000 0.254 316 A C -0.228 177.319 177.584 -0.062 0.000 1.091 316 A CA -0.147 51.864 52.037 -0.043 0.000 0.768 316 A CB 0.404 19.364 19.000 -0.066 0.000 1.028 316 A HN 0.156 nan 8.150 nan 0.000 0.498 317 D N 2.942 123.306 120.400 -0.059 0.000 2.473 317 D HA 0.398 5.038 4.640 -0.000 0.000 0.226 317 D C -0.388 175.848 176.300 -0.106 0.000 1.089 317 D CA -0.050 53.906 54.000 -0.074 0.000 0.883 317 D CB 0.294 41.064 40.800 -0.050 0.000 1.029 317 D HN 0.395 nan 8.370 nan 0.000 0.517 318 L N 2.843 123.971 121.223 -0.158 0.000 3.141 318 L HA 0.113 4.452 4.340 -0.000 0.000 0.263 318 L C 1.468 178.172 176.870 -0.277 0.000 1.312 318 L CA -0.172 54.526 54.840 -0.238 0.000 1.012 318 L CB 0.384 42.263 42.059 -0.299 0.000 1.408 318 L HN 0.262 nan 8.230 nan 0.000 0.559 319 S N -2.009 113.571 115.700 -0.200 0.000 2.660 319 S HA -0.015 4.455 4.470 -0.000 0.000 0.228 319 S C 1.647 176.125 174.600 -0.203 0.000 0.966 319 S CA 0.500 58.589 58.200 -0.185 0.000 0.940 319 S CB -0.028 63.097 63.200 -0.126 0.000 0.773 319 S HN 0.485 nan 8.310 nan 0.000 0.535 320 G N 0.556 109.202 108.800 -0.257 0.000 2.939 320 G HA2 0.229 4.189 3.960 -0.000 0.000 0.210 320 G HA3 0.229 4.189 3.960 -0.000 0.000 0.210 320 G C 0.990 175.634 174.900 -0.428 0.000 1.160 320 G CA 0.333 45.288 45.100 -0.243 0.000 0.770 320 G HN 0.464 nan 8.290 nan 0.000 0.543 321 V N -0.369 119.159 119.914 -0.642 0.000 2.490 321 V HA 0.247 4.367 4.120 -0.000 0.000 0.238 321 V C 1.157 176.966 176.094 -0.475 0.000 1.056 321 V CA 1.583 63.315 62.300 -0.947 0.000 1.075 321 V CB 0.504 31.613 31.823 -1.190 0.000 0.746 321 V HN 0.282 nan 8.190 nan 0.000 0.479 322 T N -1.167 113.157 114.554 -0.384 0.000 2.900 322 T HA 0.357 4.707 4.350 -0.000 0.000 0.303 322 T C -0.285 174.306 174.700 -0.182 0.000 1.142 322 T CA -0.469 61.492 62.100 -0.231 0.000 1.007 322 T CB 2.265 71.006 68.868 -0.212 0.000 1.156 322 T HN 0.340 nan 8.240 nan 0.000 0.490 323 E N 1.058 121.186 120.200 -0.121 0.000 2.498 323 E HA 0.098 4.448 4.350 -0.000 0.000 0.203 323 E C 0.119 176.673 176.600 -0.077 0.000 1.013 323 E CA -0.008 56.334 56.400 -0.096 0.000 0.927 323 E CB 0.558 30.213 29.700 -0.075 0.000 1.012 323 E HN 0.615 nan 8.360 nan 0.000 0.482 324 E N 0.648 120.803 120.200 -0.075 0.000 2.736 324 E HA 0.436 4.785 4.350 -0.000 0.000 0.208 324 E C -0.163 176.402 176.600 -0.058 0.000 0.996 324 E CA -0.386 55.981 56.400 -0.055 0.000 1.104 324 E CB 1.117 30.795 29.700 -0.036 0.000 1.111 324 E HN 0.064 nan 8.360 nan 0.000 0.455 325 A N 2.174 124.945 122.820 -0.082 0.000 2.577 325 A HA 0.510 4.830 4.320 -0.000 0.000 0.297 325 A C -2.742 174.780 177.584 -0.104 0.000 1.060 325 A CA -1.163 50.825 52.037 -0.082 0.000 0.697 325 A CB 1.440 20.389 19.000 -0.086 0.000 1.281 325 A HN -0.016 nan 8.150 nan 0.000 0.402 326 P HA 0.275 nan 4.420 nan 0.000 0.220 326 P C -0.427 176.811 177.300 -0.104 0.000 1.806 326 P CA -0.047 63.000 63.100 -0.088 0.000 0.976 326 P CB -0.410 31.254 31.700 -0.061 0.000 1.952 327 L N 1.979 123.112 121.223 -0.150 0.000 2.525 327 L HA 0.102 4.442 4.340 -0.000 0.000 0.278 327 L C 1.098 177.880 176.870 -0.147 0.000 1.218 327 L CA 0.761 55.498 54.840 -0.171 0.000 0.878 327 L CB -0.264 41.618 42.059 -0.295 0.000 1.127 327 L HN 0.335 nan 8.230 nan 0.000 0.492 328 K N 2.155 122.484 120.400 -0.118 0.000 2.578 328 K HA 0.493 4.813 4.320 -0.000 0.000 0.269 328 K C -1.871 174.667 176.600 -0.103 0.000 0.941 328 K CA -1.078 55.143 56.287 -0.109 0.000 0.847 328 K CB 1.251 33.715 32.500 -0.061 0.000 1.397 328 K HN 0.107 nan 8.250 nan 0.000 0.422 329 L N 2.282 123.404 121.223 -0.169 0.000 2.281 329 L HA 0.251 4.591 4.340 -0.000 0.000 0.285 329 L C 1.301 178.233 176.870 0.104 0.000 1.074 329 L CA 0.325 55.075 54.840 -0.149 0.000 0.817 329 L CB 1.321 43.058 42.059 -0.537 0.000 1.168 329 L HN 0.994 nan 8.230 nan 0.000 0.434 330 S N 3.016 118.794 115.700 0.131 0.000 2.441 330 S HA 0.249 4.719 4.470 -0.000 0.000 0.224 330 S C 0.686 175.434 174.600 0.246 0.000 1.043 330 S CA 0.590 58.896 58.200 0.177 0.000 0.948 330 S CB 0.271 63.522 63.200 0.085 0.000 0.810 330 S HN 0.591 nan 8.310 nan 0.000 0.504 331 K N -0.179 120.361 120.400 0.232 0.000 2.512 331 K HA 0.693 5.013 4.320 -0.000 0.000 0.263 331 K C -1.921 174.851 176.600 0.286 0.000 0.966 331 K CA -0.536 55.889 56.287 0.231 0.000 0.851 331 K CB 2.248 34.834 32.500 0.144 0.000 1.395 331 K HN 0.100 nan 8.250 nan 0.000 0.440 332 A N 1.896 124.907 122.820 0.318 0.000 2.684 332 A HA 0.396 4.716 4.320 -0.000 0.000 0.289 332 A C -1.262 176.516 177.584 0.323 0.000 1.139 332 A CA -0.554 51.691 52.037 0.345 0.000 0.793 332 A CB 0.649 20.020 19.000 0.617 0.000 1.334 332 A HN 0.274 nan 8.150 nan 0.000 0.408 333 V N 2.372 122.468 119.914 0.303 0.000 2.481 333 V HA 0.422 4.542 4.120 -0.000 0.000 0.286 333 V C -0.007 176.316 176.094 0.381 0.000 1.042 333 V CA -0.381 62.104 62.300 0.308 0.000 0.928 333 V CB 1.438 33.408 31.823 0.245 0.000 0.986 333 V HN 0.899 nan 8.190 nan 0.000 0.462 334 H N 3.638 122.886 119.070 0.296 0.000 2.466 334 H HA 0.681 5.237 4.556 0.000 0.000 0.338 334 H C -0.591 174.912 175.328 0.291 0.000 1.091 334 H CA -0.693 55.552 56.048 0.329 0.000 1.207 334 H CB 1.428 31.419 29.762 0.382 0.000 1.466 334 H HN 0.602 nan 8.280 nan 0.000 0.493 335 K N 3.313 123.582 120.400 -0.219 0.000 2.397 335 K HA 0.786 5.106 4.320 -0.000 0.000 0.253 335 K C -1.861 174.630 176.600 -0.182 0.000 0.932 335 K CA -0.511 55.702 56.287 -0.124 0.000 0.795 335 K CB 1.451 33.941 32.500 -0.015 0.000 1.159 335 K HN 0.695 nan 8.250 nan 0.000 0.424 336 A N 2.461 125.282 122.820 0.002 0.000 2.515 336 A HA 0.750 5.070 4.320 -0.000 0.000 0.298 336 A C -1.387 176.279 177.584 0.136 0.000 1.059 336 A CA -0.642 51.487 52.037 0.152 0.000 0.698 336 A CB 1.463 20.682 19.000 0.365 0.000 1.289 336 A HN 0.684 nan 8.150 nan 0.000 0.404 337 V N -0.437 119.542 119.914 0.110 0.000 2.760 337 V HA 0.870 4.990 4.120 -0.000 0.000 0.309 337 V C -0.810 175.267 176.094 -0.028 0.000 1.077 337 V CA -0.654 61.678 62.300 0.053 0.000 0.910 337 V CB 1.240 33.092 31.823 0.049 0.000 1.008 337 V HN 1.204 nan 8.190 nan 0.000 0.424 338 L N 2.885 124.094 121.223 -0.024 0.000 2.436 338 L HA 0.869 5.209 4.340 -0.000 0.000 0.268 338 L C -0.530 176.319 176.870 -0.036 0.000 0.974 338 L CA 0.160 54.945 54.840 -0.090 0.000 0.826 338 L CB 2.436 44.439 42.059 -0.094 0.000 1.291 338 L HN 0.884 nan 8.230 nan 0.000 0.406 339 T N 5.640 120.166 114.554 -0.047 0.000 2.841 339 T HA 0.646 4.996 4.350 -0.000 0.000 0.283 339 T C -0.692 174.015 174.700 0.012 0.000 1.000 339 T CA -0.237 61.857 62.100 -0.009 0.000 0.977 339 T CB 1.227 70.088 68.868 -0.011 0.000 0.979 339 T HN 0.385 nan 8.240 nan 0.000 0.446 340 I N 3.817 124.426 120.570 0.065 0.000 2.466 340 I HA 0.442 4.612 4.170 -0.000 0.000 0.289 340 I C -0.744 175.466 176.117 0.155 0.000 1.026 340 I CA -0.729 60.667 61.300 0.159 0.000 1.078 340 I CB 1.970 40.119 38.000 0.248 0.000 1.249 340 I HN 0.719 nan 8.210 nan 0.000 0.429 341 D N 3.913 124.441 120.400 0.214 0.000 2.867 341 D HA 0.238 4.878 4.640 -0.000 0.000 0.308 341 D C 0.557 177.056 176.300 0.332 0.000 1.202 341 D CA -0.577 53.525 54.000 0.171 0.000 1.035 341 D CB 0.382 41.242 40.800 0.099 0.000 1.427 341 D HN 0.364 nan 8.370 nan 0.000 0.570 342 E N 0.225 120.572 120.200 0.245 0.000 2.153 342 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 342 E C 1.153 178.103 176.600 0.584 0.000 0.988 342 E CA 1.205 57.850 56.400 0.407 0.000 0.811 342 E CB -0.342 29.507 29.700 0.248 0.000 0.746 342 E HN 0.381 nan 8.360 nan 0.000 0.466 343 K N 0.443 121.063 120.400 0.366 0.000 2.314 343 K HA 0.231 4.551 4.320 -0.000 0.000 0.198 343 K C 1.025 177.671 176.600 0.077 0.000 1.045 343 K CA 0.763 57.213 56.287 0.272 0.000 0.988 343 K CB 0.797 33.367 32.500 0.116 0.000 0.783 343 K HN 0.260 nan 8.250 nan 0.000 0.484 344 G N -1.269 107.413 108.800 -0.196 0.000 2.392 344 G HA2 0.237 4.197 3.960 -0.000 0.000 0.260 344 G HA3 0.237 4.197 3.960 -0.000 0.000 0.260 344 G C -1.382 173.145 174.900 -0.622 0.000 1.226 344 G CA -0.745 43.812 45.100 -0.905 0.000 0.913 344 G HN -0.129 nan 8.290 nan 0.000 0.483 345 T N 0.387 114.645 114.554 -0.493 0.000 2.893 345 T HA 0.674 5.024 4.350 -0.000 0.000 0.293 345 T C -1.260 173.252 174.700 -0.313 0.000 1.027 345 T CA -0.433 61.516 62.100 -0.250 0.000 0.988 345 T CB 2.237 71.083 68.868 -0.037 0.000 1.043 345 T HN 0.600 nan 8.240 nan 0.000 0.461 346 E N 0.989 121.059 120.200 -0.217 0.000 2.263 346 E HA 0.664 5.014 4.350 -0.000 0.000 0.268 346 E C -1.671 174.791 176.600 -0.231 0.000 0.884 346 E CA -0.762 55.469 56.400 -0.282 0.000 0.766 346 E CB 1.385 30.978 29.700 -0.178 0.000 1.196 346 E HN 0.793 nan 8.360 nan 0.000 0.416 347 A N 2.579 125.210 122.820 -0.316 0.000 2.486 347 A HA 0.880 5.200 4.320 -0.000 0.000 0.300 347 A C -1.475 175.977 177.584 -0.220 0.000 1.048 347 A CA -0.173 51.612 52.037 -0.420 0.000 0.696 347 A CB 1.798 20.191 19.000 -1.012 0.000 1.278 347 A HN 0.607 nan 8.150 nan 0.000 0.405 348 A N 0.409 123.235 122.820 0.009 0.000 2.469 348 A HA 1.000 5.320 4.320 -0.000 0.000 0.299 348 A C -0.061 177.794 177.584 0.452 0.000 1.098 348 A CA -0.241 52.008 52.037 0.352 0.000 0.737 348 A CB 1.854 21.067 19.000 0.355 0.000 1.312 348 A HN 2.326 nan 8.150 nan 0.000 0.414 349 G N -0.959 108.143 108.800 0.504 0.000 2.746 349 G HA2 0.788 4.748 3.960 -0.000 0.000 0.297 349 G HA3 0.788 4.748 3.960 -0.000 0.000 0.297 349 G C -0.973 174.119 174.900 0.319 0.000 1.426 349 G CA 0.242 45.579 45.100 0.394 0.000 0.989 349 G HN 1.814 nan 8.290 nan 0.000 0.520 350 A N 0.901 123.833 122.820 0.186 0.000 2.515 350 A HA 0.837 5.157 4.320 -0.000 0.000 0.298 350 A C -1.097 176.667 177.584 0.300 0.000 1.059 350 A CA -0.760 51.435 52.037 0.265 0.000 0.698 350 A CB 2.197 21.326 19.000 0.216 0.000 1.289 350 A HN 1.045 nan 8.150 nan 0.000 0.404 351 M N 2.311 122.144 119.600 0.388 0.000 2.093 351 M HA 0.640 5.120 4.480 -0.000 0.000 0.297 351 M C -2.059 174.471 176.300 0.382 0.000 0.938 351 M CA -0.687 54.867 55.300 0.423 0.000 0.920 351 M CB 0.817 33.656 32.600 0.399 0.000 1.517 351 M HN 0.583 nan 8.290 nan 0.000 0.427 352 F N 5.807 125.865 119.950 0.181 0.000 2.426 352 F HA 0.519 5.046 4.527 0.000 0.000 0.348 352 F C -0.894 174.966 175.800 0.100 0.000 1.124 352 F CA -0.968 57.100 58.000 0.113 0.000 1.008 352 F CB 1.115 40.168 39.000 0.089 0.000 1.139 352 F HN 0.554 nan 8.300 nan 0.000 0.452 353 L N 6.250 127.215 121.223 -0.431 0.000 2.727 353 L HA 0.267 4.607 4.340 -0.000 0.000 0.237 353 L C 0.040 176.619 176.870 -0.485 0.000 1.370 353 L CA 0.269 54.897 54.840 -0.352 0.000 1.248 353 L CB -0.739 41.124 42.059 -0.328 0.000 1.556 353 L HN 0.615 nan 8.230 nan 0.000 0.420 354 E N 0.194 120.116 120.200 -0.463 0.000 2.357 354 E HA 0.423 4.773 4.350 -0.000 0.000 0.264 354 E C -1.269 175.413 176.600 0.137 0.000 1.164 354 E CA -0.611 55.641 56.400 -0.248 0.000 0.893 354 E CB 1.472 30.876 29.700 -0.494 0.000 1.619 354 E HN 0.042 nan 8.360 nan 0.000 0.464 355 A N 1.182 124.126 122.820 0.206 0.000 2.477 355 A HA 0.570 4.890 4.320 -0.000 0.000 0.246 355 A C -0.071 177.679 177.584 0.275 0.000 1.078 355 A CA 0.431 52.599 52.037 0.219 0.000 0.770 355 A CB -0.152 18.933 19.000 0.143 0.000 1.011 355 A HN 0.365 nan 8.150 nan 0.000 0.494 356 I N 3.258 123.942 120.570 0.189 0.000 2.775 356 I HA 0.302 4.472 4.170 -0.000 0.000 0.295 356 I C -2.273 173.888 176.117 0.074 0.000 1.287 356 I CA -1.859 59.513 61.300 0.120 0.000 1.029 356 I CB 2.763 40.846 38.000 0.138 0.000 1.282 356 I HN 0.565 nan 8.210 nan 0.000 0.426 357 P HA 0.154 nan 4.420 nan 0.000 0.269 357 P C -1.061 176.245 177.300 0.010 0.000 1.209 357 P CA -0.227 62.885 63.100 0.021 0.000 0.776 357 P CB 0.662 32.366 31.700 0.006 0.000 0.876 358 M N 1.177 120.779 119.600 0.004 0.000 2.444 358 M HA 0.271 4.751 4.480 -0.000 0.000 0.319 358 M C 0.907 177.191 176.300 -0.027 0.000 1.183 358 M CA -0.360 54.929 55.300 -0.017 0.000 1.032 358 M CB 1.250 33.844 32.600 -0.009 0.000 1.569 358 M HN 0.490 nan 8.290 nan 0.000 0.468 359 S N 0.928 116.598 115.700 -0.049 0.000 2.718 359 S HA 0.829 5.299 4.470 -0.000 0.000 0.300 359 S C -0.452 174.128 174.600 -0.033 0.000 1.117 359 S CA -0.826 57.350 58.200 -0.040 0.000 1.002 359 S CB 1.159 64.328 63.200 -0.052 0.000 1.092 359 S HN 0.435 nan 8.310 nan 0.000 0.542 360 I N 0.726 121.285 120.570 -0.019 0.000 2.442 360 I HA 0.386 4.556 4.170 -0.000 0.000 0.279 360 I C -2.633 173.481 176.117 -0.005 0.000 1.081 360 I CA -1.902 59.392 61.300 -0.009 0.000 1.197 360 I CB -0.397 37.603 38.000 -0.001 0.000 1.394 360 I HN 0.368 nan 8.210 nan 0.000 0.488 361 P HA 0.157 nan 4.420 nan 0.000 0.265 361 P C -2.292 175.015 177.300 0.012 0.000 1.193 361 P CA -0.646 62.454 63.100 -0.000 0.000 0.765 361 P CB -0.237 31.465 31.700 0.003 0.000 0.823 362 P HA 0.145 nan 4.420 nan 0.000 0.276 362 P C -0.684 176.638 177.300 0.036 0.000 1.230 362 P CA 0.010 63.131 63.100 0.034 0.000 0.776 362 P CB 0.945 32.676 31.700 0.051 0.000 0.888 363 E N 1.489 121.714 120.200 0.041 0.000 2.149 363 E HA 0.569 4.919 4.350 -0.000 0.000 0.255 363 E C -1.394 175.238 176.600 0.053 0.000 0.888 363 E CA -0.727 55.696 56.400 0.038 0.000 0.742 363 E CB 0.465 30.181 29.700 0.028 0.000 1.164 363 E HN 0.533 nan 8.360 nan 0.000 0.422 364 A N 4.888 127.753 122.820 0.074 0.000 2.513 364 A HA 0.241 4.561 4.320 -0.000 0.000 0.285 364 A C -1.141 176.519 177.584 0.126 0.000 1.047 364 A CA -0.811 51.286 52.037 0.101 0.000 0.864 364 A CB 0.946 20.023 19.000 0.128 0.000 1.373 364 A HN 0.488 nan 8.150 nan 0.000 0.403 365 K N 3.614 124.076 120.400 0.103 0.000 2.285 365 K HA 0.405 4.725 4.320 -0.000 0.000 0.286 365 K C 0.074 176.867 176.600 0.322 0.000 1.072 365 K CA -0.657 55.714 56.287 0.141 0.000 0.913 365 K CB 0.083 32.664 32.500 0.136 0.000 1.067 365 K HN 0.718 nan 8.250 nan 0.000 0.479 366 F N 4.328 124.452 119.950 0.290 0.000 2.740 366 F HA 0.081 4.608 4.527 -0.000 0.000 0.294 366 F C 0.875 176.783 175.800 0.181 0.000 1.225 366 F CA -0.902 57.283 58.000 0.309 0.000 1.426 366 F CB -0.402 38.882 39.000 0.473 0.000 1.021 366 F HN 0.822 nan 8.300 nan 0.000 0.508 367 N N 1.959 120.924 118.700 0.441 0.000 2.282 367 N HA -0.280 4.460 4.740 -0.000 0.000 0.222 367 N C -0.429 175.212 175.510 0.219 0.000 0.937 367 N CA 2.112 55.309 53.050 0.244 0.000 2.775 367 N CB -0.961 37.609 38.487 0.137 0.000 0.817 367 N HN 0.450 nan 8.380 nan 0.000 0.463 368 K N 1.782 122.272 120.400 0.151 0.000 2.459 368 K HA 0.480 4.800 4.320 -0.000 0.000 0.218 368 K C -2.459 174.282 176.600 0.236 0.000 1.067 368 K CA -1.322 55.018 56.287 0.088 0.000 1.045 368 K CB 1.676 34.133 32.500 -0.072 0.000 1.623 368 K HN 0.301 nan 8.250 nan 0.000 0.509 369 P HA 0.294 nan 4.420 nan 0.000 0.276 369 P C -0.900 176.683 177.300 0.472 0.000 1.261 369 P CA -0.611 62.823 63.100 0.557 0.000 0.800 369 P CB 0.489 32.394 31.700 0.342 0.000 1.066 370 F N -2.350 117.834 119.950 0.389 0.000 2.631 370 F HA 0.715 5.242 4.527 -0.000 0.000 0.308 370 F C -1.734 174.300 175.800 0.389 0.000 1.097 370 F CA -1.325 56.894 58.000 0.366 0.000 0.952 370 F CB 0.458 39.682 39.000 0.375 0.000 1.307 370 F HN -0.023 nan 8.300 nan 0.000 0.450 371 V N 2.724 122.998 119.914 0.600 0.000 2.732 371 V HA 0.740 4.860 4.120 -0.000 0.000 0.310 371 V C -0.617 175.857 176.094 0.633 0.000 1.053 371 V CA -0.738 61.773 62.300 0.351 0.000 0.957 371 V CB 1.734 33.586 31.823 0.048 0.000 1.018 371 V HN 0.855 nan 8.190 nan 0.000 0.452 372 F N 2.458 122.582 119.950 0.290 0.000 2.662 372 F HA 0.923 5.450 4.527 -0.000 0.000 0.312 372 F C -1.506 174.322 175.800 0.047 0.000 1.113 372 F CA -1.410 56.656 58.000 0.109 0.000 0.951 372 F CB 1.775 40.693 39.000 -0.136 0.000 1.344 372 F HN 0.382 nan 8.300 nan 0.000 0.462 373 L N 2.547 123.883 121.223 0.189 0.000 2.505 373 L HA 0.632 4.972 4.340 -0.000 0.000 0.266 373 L C -1.620 175.339 176.870 0.148 0.000 0.954 373 L CA -0.456 54.447 54.840 0.105 0.000 0.852 373 L CB 2.013 44.162 42.059 0.150 0.000 1.282 373 L HN 0.715 nan 8.230 nan 0.000 0.403 374 I N 5.940 126.596 120.570 0.143 0.000 2.339 374 I HA 0.489 4.659 4.170 -0.000 0.000 0.290 374 I C -0.616 175.499 176.117 -0.004 0.000 0.994 374 I CA -0.376 60.982 61.300 0.097 0.000 1.191 374 I CB 1.289 39.319 38.000 0.051 0.000 1.343 374 I HN 0.460 nan 8.210 nan 0.000 0.458 375 I N 4.582 125.163 120.570 0.019 0.000 2.608 375 I HA 0.258 4.428 4.170 -0.000 0.000 0.295 375 I C -0.698 175.427 176.117 0.013 0.000 1.049 375 I CA -0.757 60.545 61.300 0.004 0.000 1.063 375 I CB 2.271 40.299 38.000 0.046 0.000 1.248 375 I HN 0.454 nan 8.210 nan 0.000 0.424 376 D N 4.413 124.811 120.400 -0.002 0.000 2.347 376 D HA 0.142 4.782 4.640 -0.000 0.000 0.235 376 D C 0.771 177.104 176.300 0.055 0.000 1.149 376 D CA 0.041 54.059 54.000 0.031 0.000 0.850 376 D CB 1.155 41.967 40.800 0.020 0.000 1.061 376 D HN 0.459 nan 8.370 nan 0.000 0.487 377 Q N 2.578 122.425 119.800 0.080 0.000 2.226 377 Q HA -0.158 4.182 4.340 -0.000 0.000 0.204 377 Q C 1.297 177.335 176.000 0.063 0.000 0.975 377 Q CA 1.017 56.866 55.803 0.076 0.000 0.866 377 Q CB -0.012 28.778 28.738 0.088 0.000 0.915 377 Q HN 0.655 nan 8.270 nan 0.000 0.440 378 N N -0.341 118.394 118.700 0.059 0.000 2.104 378 N HA -0.139 4.601 4.740 -0.000 0.000 0.190 378 N C 1.541 177.076 175.510 0.043 0.000 1.024 378 N CA 1.720 54.799 53.050 0.048 0.000 0.853 378 N CB 0.089 38.601 38.487 0.043 0.000 1.008 378 N HN 0.302 nan 8.380 nan 0.000 0.424 379 T N -2.966 111.612 114.554 0.040 0.000 3.003 379 T HA 0.300 4.650 4.350 -0.000 0.000 0.261 379 T C 0.388 175.111 174.700 0.038 0.000 1.003 379 T CA -0.271 61.849 62.100 0.034 0.000 0.917 379 T CB 0.409 69.293 68.868 0.027 0.000 1.084 379 T HN 0.031 nan 8.240 nan 0.000 0.522 380 K N 0.472 120.900 120.400 0.045 0.000 3.281 380 K HA -0.118 4.202 4.320 -0.000 0.000 0.295 380 K C 0.257 176.881 176.600 0.040 0.000 1.233 380 K CA 0.349 56.669 56.287 0.055 0.000 0.866 380 K CB -2.279 30.273 32.500 0.086 0.000 1.265 380 K HN 0.698 nan 8.250 nan 0.000 0.482 381 A N 1.569 124.399 122.820 0.018 0.000 2.327 381 A HA 0.478 4.798 4.320 -0.000 0.000 0.283 381 A C -2.213 175.350 177.584 -0.035 0.000 1.127 381 A CA -1.258 50.776 52.037 -0.005 0.000 0.810 381 A CB 0.273 19.273 19.000 -0.000 0.000 1.066 381 A HN 0.010 nan 8.150 nan 0.000 0.492 382 P HA 0.161 nan 4.420 nan 0.000 0.288 382 P C 0.415 177.616 177.300 -0.166 0.000 1.363 382 P CA -0.328 62.706 63.100 -0.109 0.000 0.837 382 P CB 0.915 32.520 31.700 -0.158 0.000 0.981 383 L N 2.781 123.887 121.223 -0.194 0.000 2.027 383 L HA 0.116 4.456 4.340 -0.000 0.000 0.206 383 L C 0.985 177.430 176.870 -0.709 0.000 1.074 383 L CA 1.733 56.348 54.840 -0.375 0.000 0.745 383 L CB -1.357 40.529 42.059 -0.289 0.000 0.898 383 L HN 0.246 nan 8.230 nan 0.000 0.433 384 F N -1.824 118.040 119.950 -0.143 0.000 2.626 384 F HA 0.626 5.153 4.527 -0.000 0.000 0.311 384 F C -0.029 175.618 175.800 -0.256 0.000 1.088 384 F CA -0.663 57.252 58.000 -0.141 0.000 0.949 384 F CB 2.054 41.059 39.000 0.008 0.000 1.322 384 F HN -0.256 nan 8.300 nan 0.000 0.461 385 M N 1.435 120.847 119.600 -0.315 0.000 2.371 385 M HA 0.764 5.244 4.480 -0.000 0.000 0.287 385 M C -1.242 174.634 176.300 -0.706 0.000 1.149 385 M CA -0.076 54.861 55.300 -0.605 0.000 0.929 385 M CB 2.382 34.535 32.600 -0.745 0.000 1.683 385 M HN 0.795 nan 8.290 nan 0.000 0.470 386 G N 2.546 110.631 108.800 -1.192 0.000 2.663 386 G HA2 0.679 4.639 3.960 -0.000 0.000 0.299 386 G HA3 0.679 4.639 3.960 -0.000 0.000 0.299 386 G C -2.350 172.204 174.900 -0.576 0.000 1.372 386 G CA -0.851 43.778 45.100 -0.786 0.000 0.781 386 G HN 0.771 nan 8.290 nan 0.000 0.491 387 R N -0.520 119.965 120.500 -0.025 0.000 2.574 387 R HA 0.622 4.962 4.340 -0.000 0.000 0.288 387 R C -1.774 174.563 176.300 0.060 0.000 1.004 387 R CA -0.494 55.654 56.100 0.081 0.000 0.895 387 R CB 2.291 32.707 30.300 0.193 0.000 1.191 387 R HN 0.387 nan 8.270 nan 0.000 0.444 388 V N 5.503 125.310 119.914 -0.177 0.000 2.378 388 V HA 0.278 4.398 4.120 -0.000 0.000 0.288 388 V C 0.396 176.305 176.094 -0.308 0.000 1.016 388 V CA -0.430 61.681 62.300 -0.316 0.000 0.840 388 V CB 1.523 32.950 31.823 -0.660 0.000 0.994 388 V HN 0.739 nan 8.190 nan 0.000 0.431 389 V N 3.256 122.960 119.914 -0.351 0.000 3.473 389 V HA 0.242 4.362 4.120 -0.000 0.000 0.253 389 V C 0.547 175.955 176.094 -1.144 0.000 1.340 389 V CA 0.119 62.078 62.300 -0.567 0.000 1.103 389 V CB 0.259 31.957 31.823 -0.209 0.000 0.881 389 V HN 0.832 nan 8.190 nan 0.000 0.451 390 N N 1.805 120.093 118.700 -0.686 0.000 2.354 390 N HA 0.374 5.114 4.740 -0.000 0.000 0.287 390 N C -2.752 172.438 175.510 -0.532 0.000 1.016 390 N CA -1.669 50.999 53.050 -0.636 0.000 0.871 390 N CB 2.709 41.048 38.487 -0.247 0.000 1.299 390 N HN -0.002 nan 8.380 nan 0.000 0.482 391 P HA 0.047 nan 4.420 nan 0.000 0.225 391 P C -0.429 176.736 177.300 -0.225 0.000 1.768 391 P CA -0.187 62.718 63.100 -0.326 0.000 0.943 391 P CB -0.791 30.722 31.700 -0.311 0.000 1.936 392 T N -1.274 113.187 114.554 -0.155 0.000 2.940 392 T HA 0.053 4.403 4.350 -0.000 0.000 0.309 392 T C 0.965 175.644 174.700 -0.034 0.000 1.056 392 T CA -0.129 61.928 62.100 -0.071 0.000 1.137 392 T CB 0.926 69.771 68.868 -0.039 0.000 0.976 392 T HN 0.165 nan 8.240 nan 0.000 0.547 393 Q N 0.661 120.453 119.800 -0.014 0.000 2.214 393 Q HA 0.134 4.474 4.340 -0.000 0.000 0.229 393 Q C 0.698 176.701 176.000 0.005 0.000 0.835 393 Q CA -0.025 55.777 55.803 -0.001 0.000 0.953 393 Q CB 0.163 28.903 28.738 0.004 0.000 1.131 393 Q HN 1.027 nan 8.270 nan 0.000 0.501 394 K N 0.000 120.403 120.400 0.005 0.000 2.780 394 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 394 K CA 0.000 56.291 56.287 0.007 0.000 0.838 394 K CB 0.000 32.504 32.500 0.007 0.000 1.064 394 K HN 0.000 nan 8.250 nan 0.000 0.543